SCHEMBL686916

SCHEMBL686916

CCOc1cccc(Cl)c1Cn1c2c(c3oc(=O)[nH]c3c1=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
DRD4 P21917 2/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DAO P14920 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL688033 0.90 TIPARP (0.33) DRD4MEN1KMT2AHPGDL3MBTL1
SCHEMBL688362 0.89 ALDH1A1 (0.36) KDM4EALDH1A1DRD4HPGD
SCHEMBL686678 0.86 L3MBTL1 (0.36) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL687695 0.82 MEN1 (0.36) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL687163 0.82 MEN1 (0.38) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL687842 0.79 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL687662 0.77 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL30155068 0.77 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL687638 0.77 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL688221 0.77 ALDH1A1 (0.36) KDM4EALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2631/4885ALDH1A1 53/4885DRD4 2849/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 KDM4E 3292/4885ALDH1A1 57/4885DRD4 3616/4885

“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.