SCHEMBL286696

SCHEMBL286696

[C]1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
CYP2A6 P11509 1/20 0.35
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2C P28335 1/20 0.32
NOS3 P29474 1/20 0.31
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KIF11 P52732 1/20 0.31
IDO1 P14902 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3884 1.00 TSHR (0.48) TSHRMAOAMAOBCYP2A6MAPT
SCHEMBL9421049 0.93 TSHR (0.52) TSHRMAOAMAOBCYP2A6MAPT
SCHEMBL62945 0.93 TSHR (0.52) TSHRMAOAMAOBCYP2A6MAPT
SCHEMBL177122 0.91 TSHR (0.50) TSHRMAOAMAOBCYP2A6MAPT
SCHEMBL21267 0.85
SCHEMBL1374665 0.85
SCHEMBL2952083 0.83 MAOA (0.44) TSHRMAOAMAOBCYP2A6MAPT
SCHEMBL3543729 0.76 TSHR (0.32) TSHR
SCHEMBL42412 0.74 MEN1 (0.36) TSHR
SCHEMBL1098772 0.73 TSHR (0.50) TSHRMAOAMAOBCYP2A6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140798-A1 MENIN INHIBITORS AND USE THEREOF 成都先导药物开发股份有限公司 2024-07-04 WO disclosed
WO-2024127343-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE / PHOSPHODIESTERASE 1 (ENPP-1) SRAVATHI AI TECHNOLOGY PRIVATE LIMITED (IN) 2024-06-20 WO disclosed
WO-2024120360-A1 PARP7 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 成都先导药物开发股份有限公司 2024-06-13 WO disclosed
WO-2024119866-A1 BENZOTHIAZOLE PYRIMIDINEAMINE DYRK2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2024-06-13 WO disclosed
US-20240182473-A1 COMPOUNDS USEFUL IN HIV THERAPY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-06-06 US disclosed
WO-2024109788-A1 PARP7 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 成都先导药物开发股份有限公司 2024-05-30 WO disclosed
EP-4365182-A1 GEMCITABINE ANTICANCER DERIVATIVE AND ANTICANCER PHARMACEUTICAL USE Ascentawits Pharmaceuticals, Ltd. (CN) 2024-05-08 EP disclosed
US-20240140970-A1 A DEUTERATED COMPOUND, AND PREPARATION METHOD AND USE THEREOF ASCENTAWITS PHARMACEUTICALS LTD (CN) 2024-05-02 US disclosed
EP-4342473-A2 COMPOUNDS USEFUL IN HIV THERAPY GlaxoSmithKline Intellectual Property Development Limited (GB) 2024-03-27 EP disclosed
US-20240051972-A1 Compounds Useful in HIV Therapy GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-02-15 US disclosed
WO-2008154601-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2008-12-18 WO disclosed
WO-2008083238-A2 HETEROCYCLIC RECEPTOR AGONISTS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX INC. (US) 2008-07-10 WO disclosed
US-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP disclosed
EP-0466220-B1 Carboxy containing monomers and polymers and latices prepared from same JOHNSON & JOHNSON CLIN DIAG (US) 1997-01-29 EP disclosed
US-5278267-A Water insoluble vinyl aromatic polymer EASTMAN KODAK COMPANY (US) 1994-01-11 US disclosed
US-5210289-A Homo or coploymers for medical diagnosis EASTMAN KODAK COMPANY (US) 1993-05-11 US disclosed
US-5149737-A Carboxy group extended from polymer surface allows easier attachment of biological substances EASTMAN KODAK COMPANY (US) 1992-09-22 US disclosed
EP-0466220-A2 Carboxy containing monomers and polymers and latices prepared from same Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-01-15 EP disclosed
US-4190656-A VIRICIDES, ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-26 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 (4 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 TSHR 4765/4885MAOA 2725/4885MAOB 2568/4885
US-20240051972-A1 Compounds Useful in HIV Therapy CD4, CCR5, ABCB1 TSHR 4870/4885MAOA 1305/4885MAOB 477/4885
US-20240182473-A1 COMPOUNDS USEFUL IN HIV THERAPY CD4, CCR5, G6PD TSHR 4863/4885MAOA 878/4885MAOB 510/4885
US-20240140970-A1 A DEUTERATED COMPOUND, AND PREPARATION METHOD AND USE THEREOF DMPK, DEK, DOHH TSHR 1384/4885MAOA 2824/4885MAOB 2619/4885

“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.