SCHEMBL13967

SCHEMBL13967

CCCCOC(=O)Cc1c(C)noc1-c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
HSD17B10 Q99714 2/20 0.39
SMPD1 P17405 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP19A1 P11511 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MIF P14174 1/20 0.36

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
SCHEMBL1555 0.89 HTT (0.45) HSD17B10CYP2C9CYP2C19HTTALDH1A1
SCHEMBL2072 0.81 ALDH1A1 (0.46) HSD17B10CYP19A1HTTALDH1A1KDM4E
SCHEMBL14595 0.80 ABCC3 (0.38) CYP2C9LMNA
SCHEMBL1279 0.79 CYP1A2 (0.43) CYP2C9CYP2C19HTTALDH1A1POLB
SCHEMBL13426 0.77 LMNA (0.42) SMPD1CYP2C9CYP2C19HTTALDH1A1
SCHEMBL10012 0.77 CYP2C9 (0.40) CYP2C9CYP2C19CYP19A1CYP1A2L3MBTL1
SCHEMBL3829 0.74 P2RX7 (0.42) CYP2C9CYP2C19CYP1A2
SCHEMBL18597812 0.74 CYP1A2 (0.44) CYP2C9CYP2C19HTTALDH1A1LMNA
SCHEMBL22257228 0.73 ALDH1A1 (0.44) CYP2C9CYP2C19HTTALDH1A1KDM4E
SCHEMBL24042873 0.73 ALDH1A1 (0.42) CYP2C9CYP2C19HTTALDH1A1KDM4E

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-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
WO-2011041694-A2 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 (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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 PPARG 210/4885HSD17B10 2467/4885SMPD1 78/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 PPARG 210/4885HSD17B10 2467/4885SMPD1 78/4885

“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.