SCHEMBL922684

SCHEMBL922684

Cc1ccc(C)c(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.58
ALDH1A1 P00352 1/20 0.50
CYP2A6 P11509 1/20 0.50
SLC6A4 P31645 2/20 0.44
TBXA2R P21731 2/20 0.41
MERTK Q12866 1/20 0.41
SCN9A Q15858 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL922953 0.86 AR (0.62) ARALDH1A1CYP2A6SLC6A4TBXA2R
SCHEMBL17052857 0.83 AR (0.55) ARALDH1A1CYP2A6SLC6A4TBXA2R
SCHEMBL20357553 0.83 AR (0.48) ARALDH1A1CYP2A6SLC6A4MERTK
SCHEMBL11602645 0.83 CYP1A2 (0.48) ARSLC6A4TBXA2RMERTK
SCHEMBL6294696 0.83 AR (0.55) ARALDH1A1CYP2A6SLC6A4TBXA2R
SCHEMBL6295004 0.83 AR (0.55) ARALDH1A1CYP2A6SLC6A4TBXA2R
SCHEMBL5606511 0.83 AR (0.82) ARALDH1A1CYP2A6SLC6A4TBXA2R
SCHEMBL18615345 0.83 AR (0.55) ARALDH1A1CYP2A6SLC6A4TBXA2R
SCHEMBL28563857 0.82 AR (0.57) ARALDH1A1SLC6A4TBXA2RSLC6A2
SCHEMBL31757251 0.81 AR (0.56) ARSLC6A4TBXA2RSLC6A2SLC6A3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345894-A1 COMPOUND HAVING PROTEIN TYROSINE PHOSPHATASE SHP-1 AGONIST ACTIVITY Chen, Kuenfeng (TW) 2018-07-11 EP 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-20150246891-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS NATIONAL TAIWAN UNIVERSITY (TW) 2015-09-03 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

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

For each of this compound's patents that has machine-readable text (2 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 1451/4885CYP2A6 720/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 AR 4285/4885ALDH1A1 2743/4885CYP2A6 3797/4885

“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.