SCHEMBL9898753

SCHEMBL9898753

COc1ccc2c(O)cc3c(c2c1C)-c1ccc(-c2ccccc2)cc1C3C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
ACLY P53396 5/20 0.37
ABCC1 P33527 3/20 0.34
HTR2C P28335 1/20 0.34
HK2 P52789 1/20 0.34
KDM4E B2RXH2 1/20 0.34
APAF1 O14727 1/20 0.34
RECQL P46063 1/20 0.34
CASP6 P55212 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
MCL1 Q07820 1/20 0.34
CASP8 Q14790 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHEK1 O14757 1/20 0.34
FGFR1 P11362 1/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL9898696 0.80 EDNRB (0.40) EGFRKDM4ESMN1; SMN2
SCHEMBL9898751 0.72 EGFR (0.40) EGFR
SCHEMBL1067272 0.63 THRB (0.40) KDM4EMCL1
SCHEMBL27619310 0.63 ALOX5 (0.57) EGFRACLYABCC1KDM4ESMN1; SMN2
SCHEMBL8922452 0.63 CDK4 (0.51) ACLYABCC1KDM4ECHEK1FGFR1
SCHEMBL1812020 0.62 PTPN1 (0.45) ACLYKDM4ESMN1; SMN2
SCHEMBL28322348 0.62 MAPT (0.44) EGFRAPAF1MCL1SMN1; SMN2
SCHEMBL9658181 0.62 ABCC1 (0.48) ACLYABCC1CHEK1FGFR1CDK4
SCHEMBL5961843 0.61 CYP3A4 (0.53) EGFRHTR2CKDM4E
SCHEMBL9379302 0.61 FYN (0.52) EGFRACLYKDM4ECHEK1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 WO disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 EGFR 3417/4885ACLY 2089/4885ABCC1 2920/4885

“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.