SCHEMBL4281639

SCHEMBL4281639

COC(=O)C=Cc1ccccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
F2R P25116 1/20 0.44
NFE2L2 Q16236 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TYR P14679 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 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
SCHEMBL4281638 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL10640211 0.89 NFE2L2 (0.41) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL10640215 0.89 NFE2L2 (0.41) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL6797172 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL6797176 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL5317693 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL8050356 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL69522 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL10438847 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL11554418 0.82 NFE2L2 (0.54) ALDH1A1KDM4EMAPTHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed
US-7622462-B2 Benzazepine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-11-24 US disclosed
US-20070281920-A1 Benzazepine derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-06 US disclosed
US-5098901-A Cardiovascular disorders STERLING DRUG INC. (US) 1992-03-24 US disclosed
US-3987176-A COMPOSITION AND USE OF 3,4-DIHYDROPYRIDONES AS VASODILATORS AND ANTIHYPERTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-19 US disclosed
US-3981882-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US disclosed
US-3951990-A CORONARY AGENTS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951992-A CORONARY, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951991-A CORONARY AGENTS, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 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-20070281920-A1 Benzazepine derivatives and uses thereof TPH1, TPH2, HTR2B ALDH1A1 348/4885KDM4E 879/4885MAPT 1035/4885

“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.