SCHEMBL13830757

SCHEMBL13830757

Cc1noc(-c2ccc(-c3ccc(C4CC4C=O)cc3)cc2)c1[C@H](O)COCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
LPAR1 Q92633 4/20 0.33
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
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
ABCC2 Q92887 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
BRD4 O60885 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
GHSR Q92847 1/20 0.31
HTT P42858 2/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL13719402 0.86 FFAR1 (0.41) LPAR1
SCHEMBL7100 0.86 FFAR1 (0.41) LPAR1
SCHEMBL7497 0.86 FFAR1 (0.41) LPAR1
SCHEMBL18597703 0.86 FFAR1 (0.41) LPAR1
SCHEMBL6902 0.86 FFAR1 (0.41) LPAR1
SCHEMBL18597871 0.84 BRD4 (0.36) CYP3A4ALOX15LPAR1ABCC3ABCC4
SCHEMBL14654 0.83 MAPT (0.35) LPAR1
SCHEMBL6540 0.83 MAPT (0.35) LPAR1
SCHEMBL13719865 0.83 MAPT (0.35) LPAR1
SCHEMBL6497 0.83 MAPT (0.35) LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 CYP3A4 4616/4885ALOX15 218/4885LPAR1 1/4885

“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.