SCHEMBL687598

SCHEMBL687598

COc1cccc(OC)c1Cn1ccc2oc(=O)[nH]c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
EPHX2 P34913 6/20 0.40
LMNA P02545 4/20 0.39
PSMB8 P28062 1/20 0.39
ALDH1A1 P00352 3/20 0.37
NQO1 P15559 1/20 0.35
DAO P14920 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
MCL1 Q07820 2/20 0.34
CYP2A6 P11509 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 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
SCHEMBL687067 0.92 LMNA (0.47) GRM5EPHX2LMNAPSMB8ALDH1A1
SCHEMBL687698 0.86 LMNA (0.51) LMNAALDH1A1MEN1KMT2A
SCHEMBL688274 0.83 PKM (0.39) GRM5EPHX2MCL1POLB
SCHEMBL686626 0.82 MAPT (0.57) GRM5LMNAMAPTTP53MEN1
SCHEMBL688138 0.81 LMNA (0.39) EPHX2LMNAALDH1A1DAOMAPT
SCHEMBL688136 0.81 NPSR1 (0.46) GRM5LMNAALDH1A1MAPTKDM4E
SCHEMBL687541 0.81 LMNA (0.42) GRM5EPHX2LMNAALDH1A1MAPT
SCHEMBL687779 0.79 MAPT (0.49) LMNAALDH1A1MAPTTP53KDM4E
SCHEMBL688209 0.78 GLRA3 (0.39) LMNAALDH1A1MAPTTP53BLM
SCHEMBL687958 0.77 NOS1 (0.37) GRM5EPHX2MAPTTP53MCL1

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
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 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 (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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 GRM5 899/4885EPHX2 3258/4885LMNA 1820/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 GRM5 992/4885EPHX2 3583/4885LMNA 2248/4885

“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.