SCHEMBL17265458

SCHEMBL17265458

CC(=O)[C@@H]1C[C@@H]1c1ccc(-c2ccc(-c3onc(C)c3C(O)C/C=C/c3ccccc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.33
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GPR88 Q9GZN0 9/20 0.32
MAPK1 P28482 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
LPAR1 Q92633 2/20 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
ABCC2 Q92887 1/20 0.31
SLCO1B3 Q9NPD5 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
SCHEMBL7437 0.90 HTT (0.36) KDM1AMAPTGPR88CYP2C9
SCHEMBL13719838 0.90 HTT (0.36) KDM1AMAPTGPR88CYP2C9
SCHEMBL13719837 0.90 HTT (0.36) KDM1AMAPTGPR88CYP2C9
SCHEMBL7436 0.90 HTT (0.36) KDM1AMAPTGPR88CYP2C9
SCHEMBL17265457 0.82 FFAR1 (0.35) KDM1AFFAR1FFAR4GPR88TSHR
SCHEMBL1604078 0.80 LPAR1 (0.50) HDAC1MAPTMAPK1THRBTSHR
SCHEMBL2013 0.80 LPAR1 (0.50) HDAC1MAPTMAPK1THRBTSHR
SCHEMBL1604526 0.80 HTR2A (0.37) HDAC1MAPTGRIK1GRIK2LPAR1
SCHEMBL7450 0.80 HTR2A (0.37) HDAC1MAPTGRIK1GRIK2LPAR1
SCHEMBL1756 0.76 ABCC3 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8

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 2 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
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 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-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 KDM1A 3713/4885HDAC1 977/4885FFAR1 22/4885

“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.