SCHEMBL12427664

SCHEMBL12427664

Bc1ccc2cc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.56
CMA1 P23946 1/20 0.56
TYR P14679 1/20 0.56
ENPP2 Q13822 2/20 0.50
CYP2A6 P11509 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GPR84 Q9NQS5 1/20 0.46
TRPA1 O75762 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46

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
SCHEMBL9942515 0.81 AHR (0.56) AHRCMA1TYRCYP2A6GPR84
SCHEMBL2530865 0.73 GPR84 (0.67) AHRCMA1TYRENPP2CYP2A6
SCHEMBL5199321 0.73 AHR (0.58) AHRCMA1TYRENPP2CYP2A6
SCHEMBL879036 0.72 PIM3 (0.56) AHRCMA1TYRPOLBKMT2A
SCHEMBL1047257 0.71 AHR (0.56) AHRCMA1TYRENPP2CYP2A6
SCHEMBL317605 0.71 AHR (0.56) AHRCMA1TYRENPP2CYP2A6
SCHEMBL566682 0.71 AHR (0.56) AHRCMA1TYRENPP2CYP2A6
SCHEMBL75475 0.71 AHR (1.00) AHRCMA1TYRENPP2CYP2A6
SCHEMBL5132372 0.71 AHR (0.56) AHRCMA1TYRENPP2CYP2A6
SCHEMBL275135 0.71 AHR (0.56) AHRCMA1TYRENPP2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 EP disclosed
WO-2018039495-A1 ENGINEERED SYNTHASE FOR PRODUCTION OF TRYPTOPHAN DERIVATIVES AND INTRANSIGENT SUBSTRATES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-03-01 WO disclosed
WO-2018013867-A1 INHIBITORS OF CYCLIN DEPENDNT KINASE 7 (CDK7) MARINEAU JASON J (US) 2018-01-18 WO disclosed
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 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 (1 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-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 AHR 1772/4885CMA1 33/4885TYR 821/4885

“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.