SCHEMBL687701

SCHEMBL687701

CCOc1cccc(Cl)c1CCl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.50
ALDH1A1 P00352 5/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 3/20 0.41
ATM Q13315 2/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DPP4 P27487 1/20 0.40
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
BLM P54132 1/20 0.38
P2RX7 Q99572 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14370503 0.86 L3MBTL1 (0.51) L3MBTL1ALDH1A1POLBMAPTATM
SCHEMBL687293 0.83 DPP4 (0.59) L3MBTL1ALDH1A1POLBMAPTATM
SCHEMBL6837380 0.83 L3MBTL1 (0.49) L3MBTL1ALDH1A1POLBMAPTATM
SCHEMBL23841324 0.80 L3MBTL1 (0.46) L3MBTL1ALDH1A1POLBMAPTATM
SCHEMBL4525481 0.80 L3MBTL1 (0.44) L3MBTL1ALDH1A1POLBMAPTRAB9A
SCHEMBL13120915 0.79 L3MBTL1 (0.45) L3MBTL1ALDH1A1POLBMAPTATM
SCHEMBL1547751 0.78 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPTATMRAB9A
SCHEMBL31122982 0.77 L3MBTL1 (0.62) L3MBTL1ALDH1A1MAPTATMRAB9A
SCHEMBL198741 0.77 L3MBTL1 (0.62) L3MBTL1ALDH1A1MAPTATMRAB9A
SCHEMBL19817101 0.77 TSHR (0.41) L3MBTL1ALDH1A1MAPTATMHPGD

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
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
CN-101475526-B Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof TEXAS BIOTECHNOLOGY CORP 2011-05-25 CN 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-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US 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
CN-101475526-A Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof TEXAS BIOTECHNOLOGY CORP (US) 2009-07-08 CN disclosed
CN-100491353-C Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2009-05-27 CN 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
CN-1412181-A Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2003-04-23 CN 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 L3MBTL1 3947/4885ALDH1A1 53/4885POLB 4218/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 L3MBTL1 4021/4885ALDH1A1 57/4885POLB 4518/4885

“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.