SCHEMBL4272

SCHEMBL4272

C#CC(O)c1c(C)noc1-c1ccc(-c2ccc(CCC(=O)OCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
HRH3 Q9Y5N1 1/20 0.41
SYK P43405 4/20 0.39
CYP4Z1 Q86W10 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
MGLL Q99685 1/20 0.35
EPHX2 P34913 1/20 0.35
LPAR1 Q92633 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
MAPT P10636 1/20 0.34
FFAR1 O14842 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
SCHEMBL6778 0.82 ALOX5 (0.42) CYP4F2CYP4A11HRH3ALDH1A1MGLL
SCHEMBL4663 0.80 CYP4F2 (0.51) CYP4F2CYP4A11HRH3SYKCYP4Z1
SCHEMBL7740 0.79 LPAR1 (0.40) CYP4F2CYP4A11HRH3SYKALDH1A1
SCHEMBL4097 0.78 CYP4F2 (0.49) CYP4F2CYP4A11HRH3SYKCYP4Z1
SCHEMBL4273 0.77 CYP4F2 (0.45) CYP4F2CYP4A11HRH3SYKCYP4Z1
SCHEMBL6779 0.75 LPAR1 (0.42) CYP4F2CYP4A11HRH3ALDH1A1MGLL
SCHEMBL9939 0.75 ALDH1A1 (0.43) CYP4F2CYP4A11HRH3ALDH1A1HPGD
SCHEMBL6023 0.73 LPAR1 (0.42) ALDH1A1LPAR1LPAR2LPAR3
SCHEMBL7741 0.73 CYP4F2 (0.39) CYP4F2CYP4A11HRH3ALDH1A1MGLL
SCHEMBL4477 0.72 MEN1 (0.33) ALDH1A1LPAR1LPAR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO 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 (1 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 CYP4F2 4445/4885CYP4A11 2193/4885HRH3 225/4885

“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.