SCHEMBL688362

SCHEMBL688362

CCOc1ccc(Cl)c(Cl)c1Cn1c2c(c3oc(=O)[nH]c3c1=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
EZH2 Q15910 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
DRD4 P21917 3/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL686916 0.89 KDM4E (0.36) ALDH1A1KDM4EHPGDDRD4
SCHEMBL688033 0.79 TIPARP (0.33) HPGDDRD4TSHR
SCHEMBL686678 0.78 L3MBTL1 (0.36) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL687842 0.74 ALDH1A1 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL687638 0.72 ALDH1A1 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL688213 0.72 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL687695 0.71 MEN1 (0.36) ALDH1A1KDM4EEZH2LMNAHPGD
SCHEMBL687163 0.70 MEN1 (0.38) ALDH1A1KDM4ELMNAHPGDTSHR
SCHEMBL30155068 0.65 KDM4E (0.39) ALDH1A1KDM4ELMNAHPGD
SCHEMBL687662 0.65 KDM4E (0.39) ALDH1A1KDM4ELMNAHPGD

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 6 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
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 ALDH1A1 53/4885KDM4E 2631/4885EZH2 4310/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885KDM4E 3292/4885EZH2 4454/4885

“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.