SCHEMBL17265477

SCHEMBL17265477

COC(COCc1cccc(C(F)(F)F)c1)c1c(C)noc1-c1ccc(-c2ccc(C3(CC(=O)O)CC3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.38
ANO1 Q5XXA6 1/20 0.36
EGLN1 Q9GZT9 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
LPAR1 Q92633 2/20 0.33
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ABCB4 P21439 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
LPAR3 Q9UBY5 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
SCHEMBL17265476 0.92 MEN1 (0.36) TACR1ANO1EGLN1MEN1RECQL
SCHEMBL7482 0.91 TACR1 (0.39) TACR1ANO1EGLN1FFAR4MEN1
SCHEMBL17265475 0.90 LPAR1 (0.43) TACR1ANO1EGLN1MEN1RECQL
SCHEMBL17265471 0.87 LPAR1 (0.41) ANO1EGLN1FFAR4LPAR1LPAR3
SCHEMBL17265474 0.87 MEN1 (0.37) TACR1ANO1EGLN1MEN1KMT2A
SCHEMBL17265473 0.85 FFAR1 (0.48) ANO1EGLN1FFAR4
SCHEMBL6423 0.83 MEN1 (0.38) TACR1ANO1EGLN1MEN1RECQL
SCHEMBL17265470 0.82 SYK (0.38) TACR1ANO1EGLN1MEN1KMT2A
SCHEMBL17265469 0.81 NR1H4 (0.37) ANO1EGLN1LMNAAR
SCHEMBL2011 0.81 LPAR1 (0.44) TACR1ANO1EGLN1MEN1RECQL

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 TACR1 297/4885ANO1 1723/4885EGLN1 2718/4885

“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.