SCHEMBL687655

SCHEMBL687655

CCn1c(=O)n(CC)c2cc[c]cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
CYP1A2 P05177 2/20 0.44
PGR P06401 1/20 0.36
HPD P32754 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK14 Q16539 4/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL976299 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL4198042 0.73 BTK (0.39) ALDH1A1KDM4ECYP1A2KMT2AMEN1
SCHEMBL5063785 0.72 CYP1A2 (0.60) ALDH1A1KDM4EMAPTCYP1A2PGR
SCHEMBL552070 0.71 PIK3CD (0.43) ALDH1A1KDM4EGAACYP1A2KMT2A
SCHEMBL1863037 0.68 KMT2A (0.61) ALDH1A1KDM4EGAAMAPTPGR
SCHEMBL3482974 0.67 KDM4E (0.40) ALDH1A1KDM4EGAAMAPTCYP1A2
SCHEMBL9776455 0.67 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTCYP1A2KMT2A
SCHEMBL334753 0.67 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTCYP1A2KMT2A
SCHEMBL3483098 0.67 KDM4E (0.41) ALDH1A1KDM4EMAPTCYP1A2KMT2A
SCHEMBL9631422 0.67 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1567505-A4 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS SCHERING CORP (US) 2009-07-01 EP disclosed
US-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds ENCYSIVE PHARMACEUTICALS INC. (US) 2007-03-15 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
EP-1567505-A2 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS ENCYSIVE PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004044046-A2 COMBINATION PRODUCTS WITH CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS AND OTHER THERAPEUTIC COMPOUNDS ENCYSIVE PHARMACEUTICALS (US) 2004-05-27 WO disclosed
US-6723711-B2 VASCULAR CELL ADHESION MOLECULES AND FIBRONECTINS; ASTHMA, MULTIPLE SCLEROSIS, ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CONTACT HYPERSENSITIVITY, CARDIAC ALLOGRAFT REJECTION AND DIABETES TREATMENT TEXAS BIOTECHNOLOGY CORPORATION 2004-04-20 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
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2003-10-23 US disclosed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP 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 (4 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 ALDH1A1 53/4885KDM4E 2631/4885GAA 691/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885KDM4E 3292/4885GAA 624/4885
US-20070060608-A1 Combination products with carboxylic acid derivatives that inhibit the binding of integrins to their receptors and other therapeutic compounds VCAM1, ITGB1, ICAM1 ALDH1A1 92/4885KDM4E 1517/4885GAA 427/4885
US-20030199692-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 59/4885KDM4E 3504/4885GAA 1949/4885

“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.