SCHEMBL17487626

SCHEMBL17487626

CCCc1ccc(-c2ccc(CCC(=O)Oc3ccc(F)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 8/20 0.41
▸ FFAR4 Q5NUL3 12/20 0.39
▸ F2 P00734 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37
▸ TPSG1 Q9NRR2 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ MPL P40238 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
SCHEMBL17487558 0.87 MPL (0.39) FFAR1FFAR4RARBMPL
SCHEMBL17487609 0.80 FFAR1 (0.42) FFAR1FFAR4KMT2A
SCHEMBL17487587 0.79 ALOX5 (0.38) RARBMPL
SCHEMBL17487613 0.77 S1PR1 (0.38) FFAR1FFAR4RARB
SCHEMBL26036264 0.77 KMT2A (0.42) FFAR1FFAR4F2PRSS1PRSS2
SCHEMBL12742701 0.77 MAPT (0.43) FFAR1FFAR4PRSS1RARBMPL
SCHEMBL12742713 0.76 MAPT (0.45) FFAR1FFAR4PRSS1RARBKMT2A
SCHEMBL17487432 0.75 ALOX5 (0.38) RARBMPL
SCHEMBL17487522 0.75 S1PR1 (0.36) FFAR1FFAR4RARBMPL
SCHEMBL17356563 0.75 CTSL (0.42) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 — — US disclosed
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 — — US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 — — US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 — — 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 FFAR1 1307/4885FFAR4 1903/4885F2 396/4885

“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.

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