SCHEMBL1106089

SCHEMBL1106089

CC(C)(C)c1ccoc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 1/20 0.31
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
MIF P14174 1/20 0.30
TYR P14679 1/20 0.30
HTT P42858 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18235325 0.83
SCHEMBL18235546 0.83 CA2 (0.30) CA2
SCHEMBL24324388 0.83 CA2 (0.30) CA2
SCHEMBL24684889 0.80 NPC1 (0.32) MAPTSMN1; SMN2LMNA
SCHEMBL24499191 0.80 MAPT (0.32) MAPTSMN1; SMN2LMNAHTT
SCHEMBL799943 0.74 HPGD (0.32) ALDH1A1TSHRKDM4EMAPT
SCHEMBL802241 0.74 KDM4E (0.38) CA2ALDH1A1TSHRTDP1ALOX15
SCHEMBL21720192 0.72
SCHEMBL21718783 0.72
SCHEMBL21718772 0.72

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2024-07-11 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-11912680-B2 Nitric oxide releasing prodrugs of MDA and MDMA EMPATHBIO, INC. (US) 2024-02-27 US disclosed
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators UNIV EMORY (US) 2023-11-09 US disclosed
US-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators UNIV EMORY (US) 2023-11-09 US disclosed
US-20230355759-A1 POPULATIONS OF NATURAL KILLER CELLS COMPRISING A CLEAVAGE RESISTANT CD16 CELULARITY INC. (US) 2023-11-09 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20090137575-A1 Fused Tetracyclic mGluR1 Antagonists as Therapeutic Agents SCHERING CORPORATION 2009-05-28 US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-7482360-B2 Fused tetracyclic mGluR1 antagonists as therapeutic agents SCHERING CORPORATION (US) 2009-01-27 US disclosed
US-20080312218-A1 FUSED TETRACYCLIC MGLUR1 ANTAGONISTS AS THERAPEUTIC AGENTS SCHERING CORPORATION 2008-12-18 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 US disclosed
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 US disclosed
US-20080009524-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-01-10 US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF C9, CFB, C5 CA2 4669/4885ALDH1A1 3003/4885TSHR 3331/4885
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 CA2 2673/4885ALDH1A1 4470/4885TSHR 73/4885
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 CA2 2818/4885ALDH1A1 348/4885TSHR 3205/4885
US-20230355759-A1 POPULATIONS OF NATURAL KILLER CELLS COMPRISING A CLEAVAGE RESISTANT CD16 PBK, KLKB1, PIGK CA2 2082/4885ALDH1A1 2278/4885TSHR 3567/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 CA2 1085/4885ALDH1A1 2119/4885TSHR 3673/4885
US-20080312218-A1 FUSED TETRACYCLIC MGLUR1 ANTAGONISTS AS THERAPEUTIC AGENTS GRM1, GRM2, GRM5 CA2 818/4885ALDH1A1 921/4885TSHR 863/4885
US-20080009524-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CA2 2791/4885ALDH1A1 1961/4885TSHR 2748/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 CA2 4709/4885ALDH1A1 1427/4885TSHR 3370/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 CA2 2463/4885ALDH1A1 1620/4885TSHR 1999/4885
US-20080044355-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); amido-phenyl derivatives; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema, hereditary hemochromatosis, coagulation-fibrinolysis and lipid processing deficiencies, lysosomal storage disease CFTR, ABCB4, ABCF2 CA2 3712/4885ALDH1A1 4147/4885TSHR 1747/4885
US-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators GRIN1, GRIN2A, GRM1 CA2 4173/4885ALDH1A1 1935/4885TSHR 785/4885
US-11912680-B2 Nitric oxide releasing prodrugs of MDA and MDMA NOS1, NOS3, NOS2 CA2 4040/4885ALDH1A1 185/4885TSHR 1505/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 CA2 2254/4885ALDH1A1 3137/4885TSHR 2243/4885
US-20240228487-A1 FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND APPLICATION THEREOF TRPM2, TRPM8, TRPM7 CA2 86/4885ALDH1A1 2555/4885TSHR 3852/4885
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof PTPN11, PTPN1, PTPN7 CA2 1237/4885ALDH1A1 1909/4885TSHR 2878/4885
US-20090137575-A1 Fused Tetracyclic mGluR1 Antagonists as Therapeutic Agents GRM1, GRM2, GRM5 CA2 810/4885ALDH1A1 925/4885TSHR 871/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B CA2 3328/4885ALDH1A1 4253/4885TSHR 3771/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.