SCHEMBL3247520

SCHEMBL3247520

[c]1cc2ccccc2c2c1OCO2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
RAD52 P43351 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL30400843 0.67 BAD (0.49) CDK2ABCG2ALDH1A1KDM4EMAPT
SCHEMBL403982 0.67 BAD (0.49) CDK2ABCG2ALDH1A1KDM4EMAPT
SCHEMBL15065201 0.67 KDM4E (0.30) KDM4EMAPT
SCHEMBL15065200 0.67 CYP1A1 (0.33)
SCHEMBL2412691 0.64 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7437286 0.63 ABCG2 (0.41) CDK2ABCG2ALDH1A1KDM4EMAPT
SCHEMBL5726097 0.62 CYP1A2 (0.36) ABCG2
SCHEMBL25131 0.60 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTCYP2A6TSHR
SCHEMBL24116600 0.60 GPR35 (0.47) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL9871797 0.59 BAD (0.53) ABCG2ALDH1A1KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-0283310-B1 N-BENZHYDRYL-SUBSTITUTED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-05-26 EP disclosed
US-5028610-A Calcium Channel Blockers SANKYO COMPANY LIMITED (JP) 1991-07-02 US disclosed
EP-0283310-A1 N-Benzhydryl-substituted heterocyclic derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-09-21 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 (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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CDK2 972/4885ABCG2 499/4885ALDH1A1 874/4885

“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.