SCHEMBL687698

SCHEMBL687698

COc1ccccc1Cn1ccc2oc(=O)[nH]c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
ALDH1A1 P00352 2/20 0.48
DBH P09172 1/20 0.45
PRNP P04156 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MIF P14174 2/20 0.42
CD74 P04233 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2B P41595 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
PTGER3 P43115 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
SCHEMBL687598 0.86 GRM5 (0.41) LMNAALDH1A1MEN1KMT2A
SCHEMBL687175 0.86 TNF (0.41) LMNAALDH1A1MEN1KMT2AUSP2
SCHEMBL688061 0.85 HTR2C (0.39) LMNAALDH1A1HTR2B
SCHEMBL688209 0.84 GLRA3 (0.39) LMNAALDH1A1DRD2HSD17B10
SCHEMBL687826 0.84 POLB (0.49) LMNAALDH1A1MEN1KMT2ARXFP1
SCHEMBL687067 0.81 LMNA (0.47) LMNAALDH1A1PTGER3
SCHEMBL687748 0.81 RXFP1 (0.47) ALDH1A1MEN1KMT2ARXFP1HSD17B10
SCHEMBL686785 0.81 HDAC3 (0.41) ALDH1A1HSD17B10PTGER3
SCHEMBL687519 0.81 ALDH1A1 (0.45) LMNAALDH1A1MEN1KMT2APTGER3
SCHEMBL688408 0.81 THRB (0.47) LMNAALDH1A1MEN1KMT2ARXFP1

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 LMNA 1820/4885ALDH1A1 53/4885DBH 3405/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 LMNA 2248/4885ALDH1A1 57/4885DBH 3497/4885

“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.