SCHEMBL17355470

SCHEMBL17355470

CCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 2/20 0.34
RARB P10826 1/20 0.34
MPL P40238 3/20 0.33
GRM2 Q14416 1/20 0.33
KIF11 P52732 1/20 0.33
PDK2 Q15119 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD11B1 P28845 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
SCHEMBL17377980 0.99 S1PR1 (0.34) S1PR1S1PR3RARBMPLGRM2
SCHEMBL17377955 0.99 KIF11 (0.35) S1PR1S1PR3RARBMPLGRM2
SCHEMBL17377961 0.95 S1PR1 (0.32) S1PR1S1PR3RARBMPLGRM2
SCHEMBL17378023 0.94 GRM2 (0.35) S1PR1S1PR3RARBGRM2KIF11
SCHEMBL17365779 0.93 KIF11 (0.36) S1PR1S1PR3RARBMPLGRM2
SCHEMBL17355596 0.93 RARB (0.40) S1PR1S1PR3RARBMPLHSD11B1
SCHEMBL17355425 0.92 GRM2 (0.38) S1PR1S1PR3RARBMPLGRM2
SCHEMBL17355546 0.92 KIF11 (0.33) S1PR1S1PR3RARBMPLGRM2
SCHEMBL17355460 0.92 KIF11 (0.36) S1PR1S1PR3RARBMPLGRM2
SCHEMBL17355564 0.92 RARB (0.44) S1PR1S1PR3RARBMPLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006541-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC CORP (JP) 2017-10-18 EP disclosed
US-9657229-B2 Liquid crystal compound having difluoromethyleneoxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 US disclosed
US-9657229-B2 Liquid crystal compound having difluoromethyleneoxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 US disclosed
EP-3006541-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2016-04-13 EP disclosed
US-20160090532-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-03-31 US disclosed
US-20160090532-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-03-31 US disclosed
US-20150376502-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-12-31 US disclosed
US-20150376502-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2015-12-31 US disclosed
EP-2957554-A1 LIQUID-CRYSTALLINE COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2015-12-23 EP 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-20150376502-A1 LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CPNE4, PIEZO1 S1PR1 1941/4885S1PR3 1514/4885RARB 3248/4885

“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.