SCHEMBL688221

SCHEMBL688221

CCOc1cccc(Cl)c1Cn1cc(CC)c2oc(=O)[nH]c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 7/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 4/20 0.35
DAO P14920 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX7 Q99572 2/20 0.32
ACP1 P24666 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
PABPC1 P11940 1/20 0.32

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
SCHEMBL687081 0.93 ALDH1A1 (0.34) ALDH1A1KDM4ELMNAHPGDDAO
SCHEMBL687662 0.91 KDM4E (0.39) ALDH1A1KDM4ELMNAHPGDDAO
SCHEMBL30155068 0.91 KDM4E (0.39) ALDH1A1KDM4ELMNAHPGDDAO
SCHEMBL688127 0.85 ALDH1A1 (0.33) ALDH1A1KDM4ELMNAHPGDDAO
SCHEMBL687391 0.84 LMNA (0.41) ALDH1A1KDM4ELMNAHPGDPKM
SCHEMBL687549 0.83 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAHPGDMEN1
SCHEMBL688138 0.81 LMNA (0.39) ALDH1A1KDM4ELMNAHPGDDAO
SCHEMBL687163 0.81 MEN1 (0.38) ALDH1A1KDM4ELMNAHPGDDAO
SCHEMBL686662 0.80 PTGER3 (0.41) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL686790 0.80 LMNA (0.42) ALDH1A1KDM4ELMNAHPGDMEN1

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 ALDH1A1 53/4885KDM4E 2631/4885LMNA 1820/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885KDM4E 3292/4885LMNA 2248/4885

“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.