SCHEMBL10080950

SCHEMBL10080950

CCN(CC)c1ccc(C(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TSHR P16473 2/20 0.60
PSMD14 O00487 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 1/20 0.60
RECQL P46063 1/20 0.60
GFER P55789 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CNR2 P34972 14/20 0.53
CNR1 P21554 5/20 0.53
ALDH3A1 P30838 1/20 0.50
ALDH1A3 P47895 1/20 0.50
GRK6 P43250 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL19121455 0.87 ALDH1A1 (0.47) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL20066465 0.87 CNR2 (0.47) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL12000833 0.86 ALDH1A1 (0.54) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL4434581 0.86 ALDH1A1 (0.54) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL12319448 0.85 ALDH1A1 (0.52) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL10152990 0.84 CNR2 (0.45) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL131813 0.83 ALDH1A1 (0.56) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL18509211 0.82 CNR2 (0.50) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL9158083 0.82 ALDH1A1 (0.55) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL11107464 0.82 CNR2 (0.50) ALDH1A1TSHRPSMD14CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024014536-A1 REAGENT FOR DETECTING SARS-RELATED CORONAVIRUS 国立研究開発法人産業技術総合研究所 2024-01-18 WO disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND AUTOTAC INC. (KR) 2023-06-08 US disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20220023270-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-27 US disclosed
US-20220000883-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY 2022-01-06 US disclosed
US-20090299049-A1 Bicyclic Compounds and Their Use REPLIZYME LIMITED (GB) 2009-12-03 US disclosed
US-20090110718-A1 Derivatives of tiacumicin B as anti-cancer agents ECHEM HIGHTECH CO., LTD. (TW) 2009-04-30 US disclosed
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release REDPOINT BIO CORPORATION (US) 2008-12-11 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20070207093-A1 Hydrazone derivatives and uses thereof LINQUAGEN CORP. 2007-09-06 US disclosed
US-4397931-A Stabilized organic layered photoconductive device XEROX CORPORATION (US) 1983-08-09 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 (13 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-20090110718-A1 Derivatives of tiacumicin B as anti-cancer agents TIA1, TIAL1, TIAM1 ALDH1A1 1612/4885TSHR 1617/4885PSMD14 4494/4885
US-20220000883-A1 PROSTAGLANDIN RECEPTOR EP2 ANTAGONISTS, DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO PTGER2, PTGES2, PTGER1 ALDH1A1 1095/4885TSHR 1264/4885PSMD14 3373/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 ALDH1A1 3235/4885TSHR 3866/4885PSMD14 3848/4885
US-20220023270-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CLPP, SPOUT1, MRPL21 ALDH1A1 2700/4885TSHR 4783/4885PSMD14 1637/4885
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 ALDH1A1 722/4885TSHR 3456/4885PSMD14 1484/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ALDH1A1 3524/4885TSHR 1187/4885PSMD14 3750/4885
US-20070207093-A1 Hydrazone derivatives and uses thereof TAS2R1, TAS2R5, TAS1R1 ALDH1A1 72/4885TSHR 935/4885PSMD14 4334/4885
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND UBR4, UBQLN2, UBTF ALDH1A1 2317/4885TSHR 2205/4885PSMD14 131/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 ALDH1A1 2446/4885TSHR 3007/4885PSMD14 3408/4885
US-20090299049-A1 Bicyclic Compounds and Their Use ERCC4, PARP1, ERCC5 ALDH1A1 1108/4885TSHR 4050/4885PSMD14 4732/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 ALDH1A1 2289/4885TSHR 508/4885PSMD14 3065/4885
US-20080306030-A1 Use of a TRPM5 Inhibitor to Regulate Insulin and GLP-1 Release GLP1R, GIPR, TRPM5 ALDH1A1 4573/4885TSHR 654/4885PSMD14 3656/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 ALDH1A1 1655/4885TSHR 3938/4885PSMD14 3040/4885

“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.