SCHEMBL6181005

SCHEMBL6181005

COc1ccc2c[c][nH]c2c1OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
CYP19A1 P11511 2/20 0.39
NQO2 P16083 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
MAPT P10636 4/20 0.33
IDO1 P14902 3/20 0.33
TDO2 P48775 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL9740830 0.81 MAPT (0.39) KDM4EALDH1A1HPGDCYP19A1NQO2
SCHEMBL5865329 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDCYP19A1NQO2
SCHEMBL4477746 0.74 CA12 (0.41) KDM4EALDH1A1HPGDNQO2MAPK1
SCHEMBL30261030 0.71 BRD4 (0.45) KDM4EALDH1A1HPGDCYP19A1NQO2
SCHEMBL7835424 0.71 BRD4 (0.45) KDM4EALDH1A1HPGDCYP19A1NQO2
SCHEMBL9740158 0.69 KDM4E (0.41) KDM4EALDH1A1HPGDCYP19A1NQO2
SCHEMBL9739550 0.69 CYP19A1 (0.36) KDM4EALDH1A1HPGDCYP19A1NQO2
SCHEMBL30701949 0.68 CA9 (0.50) KDM4EALDH1A1HPGDCYP19A1MAPT
SCHEMBL3674074 0.68 CA9 (0.50) KDM4EALDH1A1HPGDCYP19A1MAPT
SCHEMBL31711278 0.67 KDM4E (0.37) KDM4EALDH1A1HPGDCYP19A1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1291345-B1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6924276-B2 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
US-20040039208-A1 Process for making n-aryl-anthranilic acids and their derivatives CHEN MICHAEL HUAI GU (US) 2004-02-26 US disclosed
EP-1313694-A1 PROCESS FOR MAKING N-ARYL-ANTHRANILIC ACIDS AND THEIR DERIVATIVES WARNER-LAMBERT COMPANY (US) 2003-05-28 EP disclosed
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors SORENSON RODERICK JOSEPH (US) 2003-05-08 US disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 EP disclosed
WO-2002018319-A1 PROCESS FOR MAKING N-ARYL-ANTHRANILIC ACIDS AND THEIR DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2002-03-07 WO disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 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 (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-20040039208-A1 Process for making n-aryl-anthranilic acids and their derivatives AADAC, AHR, AADAT KDM4E 861/4885ALDH1A1 371/4885HPGD 251/4885
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP3, MMP9 KDM4E 1800/4885ALDH1A1 732/4885HPGD 187/4885

“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.