SCHEMBL687748

SCHEMBL687748

COc1ccc(C(C)=O)cc1Cn1ccc2oc(=O)[nH]c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 10/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.41
MAPK10 P53779 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
RAD52 P43351 1/20 0.39

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
SCHEMBL687698 0.81 LMNA (0.51) RXFP1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL688209 0.78 GLRA3 (0.39) ALDH1A1MAPK1TSHRHTTNPSR1
SCHEMBL687598 0.75 GRM5 (0.41) ALDH1A1MEN1KMT2AHPGD
SCHEMBL688205 0.73 PTGER3 (0.39) ALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL687779 0.72 MAPT (0.49) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL687067 0.71 LMNA (0.47) ALDH1A1SMN1; SMN2HPGDNPSR1PKM
SCHEMBL688113 0.71 TP53 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL687387 0.71 MAPT (0.37) RXFP1ALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL686626 0.70 MAPT (0.57) RXFP1MEN1KMT2A
SCHEMBL687826 0.70 POLB (0.49) RXFP1ALDH1A1L3MBTL1MAPK1SMN1; SMN2

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 RXFP1 1453/4885ALDH1A1 53/4885L3MBTL1 3947/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 RXFP1 1204/4885ALDH1A1 57/4885L3MBTL1 4021/4885

“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.