SCHEMBL18310375

SCHEMBL18310375

CCCc1ccc(-c2cc(F)c(OCF)c(F)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RARB P10826 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRA1 P14867 4/20 0.34
GABRB2 P47870 4/20 0.34
ALOX5 P09917 2/20 0.33
PDK2 Q15119 1/20 0.33
PTGS2 P35354 1/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GRM2 Q14416 1/20 0.32
CHKA P35790 1/20 0.32

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
SCHEMBL18310571 0.97 ALOX5 (0.38) CNR1CNR2RARBNPC1TP53
SCHEMBL18310413 0.97 ALOX5 (0.38) CNR1CNR2RARBNPC1TP53
SCHEMBL18310417 0.95 CNR1 (0.33) CNR1CNR2RARBNPC1TP53
SCHEMBL18310484 0.92 ALOX5 (0.35) CNR1CNR2RARBNPC1TP53
SCHEMBL18310483 0.92 RARB (0.40) CNR1CNR2RARBNPC1TP53
SCHEMBL18310409 0.92 RARB (0.40) CNR1CNR2RARBNPC1TP53
SCHEMBL18310478 0.90 RARB (0.39) RARBNPC1TP53PKMRAB9A
SCHEMBL19829196 0.87 RARB (0.43) CNR1CNR2RARBNPC1TP53
SCHEMBL18310477 0.87 RARB (0.37) RARBNPC1TP53PKMRAB9A
SCHEMBL19829098 0.86 S1PR1 (0.32) PDK2PTGS2S1PR1S1PR3FFAR4

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 CNR1 851/4885CNR2 1173/4885RARB 2668/4885

“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.