SCHEMBL921433

SCHEMBL921433

Cc1cccc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.63
ALDH1A1 P00352 3/20 0.61
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP19A1 P11511 1/20 0.51
ACHE P22303 1/20 0.47
CYP2A6 P11509 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
TBXA2R P21731 2/20 0.45
GAA P10253 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 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
SCHEMBL31070296 1.00 AR (0.63) ARALDH1A1HTTTDP1L3MBTL1
Boric Acid SCHEMBL29019337 0.94 AR (0.57) ARALDH1A1HTTTDP1L3MBTL1
SCHEMBL921045 0.87 AR (0.65) ARALDH1A1HTTTDP1L3MBTL1
SCHEMBL10927383 0.87 CYP19A1 (0.59) ARALDH1A1CYP19A1GAAPARP15
(Chloromethyl)Benzene SCHEMBL11171704 0.86 AR (0.50) ARALDH1A1HTTTDP1L3MBTL1
SCHEMBL7071827 0.86 AR (0.59) ARALDH1A1HTTTDP1L3MBTL1
SCHEMBL10013917 0.84 ALDH1A1 (0.80) ARALDH1A1HTTTDP1L3MBTL1
SCHEMBL14159539 0.84 ALDH1A1 (0.80) ARALDH1A1HTTTDP1L3MBTL1
SCHEMBL12215126 0.84 ALDH1A1 (0.62) ARALDH1A1HTTTDP1L3MBTL1
SCHEMBL8544256 0.83 ALDH1A1 (0.53) ARALDH1A1HTTCYP19A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336781-A Preparation method of clitorium 江西同和药业股份有限公司 2021-09-03 CN claimed
CN-116253756-B Preparation method of clenbuterol 北京元延医药科技股份有限公司 2023-07-18 CN disclosed
CN-112174989-B Preparation method of clenbuterol 江西同和药业股份有限公司 2023-06-20 CN disclosed
CN-116253756-A Preparation method of clenbuterol 北京元延医药科技股份有限公司 2023-06-13 CN disclosed
CN-113336781-A Preparation method of clitorium 江西同和药业股份有限公司 2021-09-03 CN disclosed
WO-2017036405-A1 COMPOUND HAVING PROTEIN TYROSINE PHOSPHATASE SHP-1 AGONIST ACTIVITY 陈昆锋 2017-03-09 WO disclosed
US-9394261-B2 Aryl amine substituted pyrimidine and quinazoline and their use as anticancer drugs NATIONAL YANG-MING UNIVERSITY (TW) 2016-07-19 US disclosed
US-20150291514-A1 N-Aminosulfonyl Benzamides PFIZER LIMTED (GB) 2015-10-15 US disclosed
US-20150246891-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS NATIONAL TAIWAN UNIVERSITY (TW) 2015-09-03 US disclosed
US-20140080848-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANER DRUGS NATIONAL TAIWAN UNIVERSITY (TW) 2014-03-20 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 WO disclosed
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 EP disclosed
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 EP disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 WO 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-20150246891-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS EGFR, ERBB4, ERBB2 AR 1681/4885ALDH1A1 1451/4885HTT 4420/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 AR 4285/4885ALDH1A1 2743/4885HTT 2561/4885
US-20140080848-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANER DRUGS EGFR, ERBB4, ERBB2 AR 1355/4885ALDH1A1 1268/4885HTT 4101/4885
US-20150291514-A1 N-Aminosulfonyl Benzamides SCN7A, SCN2B, SCN1B AR 2468/4885ALDH1A1 1823/4885HTT 3028/4885

“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.