SCHEMBL18310587

SCHEMBL18310587

CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(OCF)c(F)c5)c(F)c4)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GRM2 Q14416 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
PDK2 Q15119 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
SCHEMBL19829192 0.99 FFAR1 (0.35) FFAR1FFAR4GRM2ALOX5APFEN1
SCHEMBL19829098 0.98 S1PR1 (0.32) FFAR1FFAR4GRM2ALOX5APFEN1
SCHEMBL19829208 0.96 ALOX5AP (0.33) FFAR1FFAR4GRM2ALOX5APFEN1
SCHEMBL18310565 0.95 FFAR1 (0.32) FFAR1FFAR4GRM2ALOX5APFEN1
SCHEMBL19829223 0.94 S1PR1 (0.30) S1PR1S1PR3
SCHEMBL18310569 0.93 S1PR1 (0.33) FFAR1FFAR4GRM2ALOX5APFEN1
SCHEMBL19829173 0.93 S1PR1 (0.36) FFAR1FFAR4GRM2ALOX5APFEN1
SCHEMBL18310577 0.93 S1PR1 (0.36) FFAR1FFAR4GRM2ALOX5APFEN1
SCHEMBL19829206 0.92 S1PR1 (0.35) FFAR1FFAR4GRM2ALOX5APFEN1
SCHEMBL19829119 0.91 PTGS2 (0.30) GRM2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951277-B2 Liquid crystal compound having 1,1,3,3-tetrafluoroallyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-04-24 US disclosed
US-20180030351-A1 LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed
US-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-12-15 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-20160362605-A1 LIQUID CRYSTAL COMPOUND HAVING 1,1,3,3-TETRAFLUOROALLYLOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE TCOF1, PIEZO1, RCC1 FFAR1 492/4885FFAR4 1281/4885GRM2 2390/4885

“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.