SCHEMBL1284989

SCHEMBL1284989

CC(C)(C)c1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.58
RORB Q92753 1/20 0.50
HSD11B1 P28845 2/20 0.49
MAOB P27338 2/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GLA P06280 1/20 0.45
ATM Q13315 1/20 0.45
S1PR1 P21453 1/20 0.42
KIF11 P52732 3/20 0.42
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL31456918 0.86 NPC1 (0.50) CYP2A6RORBHSD11B1NPC1RAB9A
SCHEMBL14602199 0.84 CNR2 (0.46) CYP2A6RORBHSD11B1NPC1RAB9A
SCHEMBL10802061 0.84 CYP2A6 (0.54) CYP2A6RORBHSD11B1MAOBDHODH
SCHEMBL30122815 0.83 PTGS2 (0.52) RORBHSD11B1NPC1RAB9AALDH1A1
SCHEMBL23626276 0.82 HSD11B1 (0.41) CYP2A6RORBHSD11B1NPC1RAB9A
SCHEMBL4904785 0.80 KIF11 (0.48) NPC1RAB9AALDH1A1L3MBTL1S1PR1
SCHEMBL31544740 0.80 CYP2A6 (0.43) CYP2A6RORBHSD11B1NPC1RAB9A
SCHEMBL19318451 0.79 DHODH (0.48) RORBHSD11B1NPC1RAB9AALDH1A1
Trichloroethane SCHEMBL28457430 0.79 CYP2A6 (0.58) CYP2A6MAOBNPC1RAB9AALDH1A1
SCHEMBL27926227 0.79 CYP2A6 (0.58) CYP2A6RORBHSD11B1MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119654309-A Organic electroluminescent element and electronic device 出光兴产株式会社 2025-03-18 CN disclosed
WO-2024034659-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC APPLIANCE 出光興産株式会社 2024-02-15 WO disclosed
US-11352321-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20190330144-A1 GLUCAGON ANTAGONISTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-10-31 US disclosed
US-20190099391-A1 Glucagon Antagonists LIGAND PHARMACEUTICALS, INC. (US) 2019-04-04 US disclosed
US-10221130-B2 Glucagon antagonists METABASIS THERAPEUTICS, INC. (US) 2019-03-05 US disclosed
US-10202354-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 US disclosed
US-20180022695-A1 GLUCAGON ANTAGONISTS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2018-01-25 US disclosed
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-06-20 US disclosed
US-20130030029-A1 Glucagon Antagonists METABASIS THERAPEUTICS, INC. (US) 2013-01-31 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 US disclosed
US-20120088662-A1 FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-12 US disclosed
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2011-05-05 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 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 (14 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-20130030029-A1 Glucagon Antagonists GLP1R, GCG, GCGR CYP2A6 754/4885RORB 268/4885HSD11B1 312/4885
US-20120088662-A1 FUNGICIDAL MIXTURES CYP51A1, CYP1A2, PFAS CYP2A6 190/4885RORB 2447/4885HSD11B1 452/4885
US-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 CYP2A6 194/4885RORB 67/4885HSD11B1 328/4885
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 CYP2A6 1415/4885RORB 19/4885HSD11B1 737/4885
US-20190330144-A1 GLUCAGON ANTAGONISTS GLP1R, GCG, GCGR CYP2A6 754/4885RORB 268/4885HSD11B1 312/4885
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE DCK, DTYMK, TYMS CYP2A6 2257/4885RORB 2064/4885HSD11B1 2627/4885
US-20190099391-A1 Glucagon Antagonists GLP1R, GCG, GCGR CYP2A6 958/4885RORB 297/4885HSD11B1 372/4885
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD4 CYP2A6 112/4885RORB 162/4885HSD11B1 3920/4885
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B CYP2A6 2951/4885RORB 283/4885HSD11B1 1196/4885
US-11352321-B2 Glucagon antagonists GLP1R, GCG, GCGR CYP2A6 754/4885RORB 268/4885HSD11B1 312/4885
US-20180022695-A1 GLUCAGON ANTAGONISTS GLP1R, GCG, GCGR CYP2A6 754/4885RORB 268/4885HSD11B1 312/4885
US-10202354-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B CYP2A6 2951/4885RORB 283/4885HSD11B1 1196/4885
US-10221130-B2 Glucagon antagonists GLP1R, GCG, GCGR CYP2A6 958/4885RORB 297/4885HSD11B1 372/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 CYP2A6 1415/4885RORB 19/4885HSD11B1 737/4885

“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.