SCHEMBL13720108

SCHEMBL13720108

CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4C(O)CCC=Cc4ccc(Cl)c(Cl)c4)cc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
OPRM1 P35372 1/20 0.33
ALOX15 P16050 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
ABCC3 O15438 1/20 0.31
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
ABCB4 P21439 1/20 0.31
LPAR1 Q92633 1/20 0.31
ABCC2 Q92887 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL6954 1.00 BRD4 (0.33) BRD4OPRM1ALOX15CRHBPHTT
SCHEMBL4474 0.88 BRD4 (0.39) BRD4OPRM1L3MBTL1GAAABCC3
SCHEMBL13719961 0.88 BRD4 (0.39) BRD4OPRM1L3MBTL1GAAABCC3
SCHEMBL6683 0.85 ALOX15 (0.36) BRD4OPRM1ALOX15CRHBPHTT
SCHEMBL6503 0.80 BRD4 (0.40) BRD4L3MBTL1GAAABCC3ABCC4
SCHEMBL13720123 0.80 BRD4 (0.40) BRD4L3MBTL1GAAABCC3ABCC4
SCHEMBL14587 0.79 BRD4 (0.33) BRD4
SCHEMBL13720099 0.79 BRD4 (0.33) BRD4
SCHEMBL14777943 0.78 BRD4 (0.37) BRD4L3MBTL1GAAABCC3ABCC4
SCHEMBL4161 0.78 IP6K1 (0.38) BRD4HTTL3MBTL1GAAABCC3

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 5 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

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 BRD4 1128/4885OPRM1 1320/4885ALOX15 218/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 BRD4 1128/4885OPRM1 1320/4885ALOX15 218/4885

“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.