SCHEMBL17355589

SCHEMBL17355589

CCCc1ccc(C(F)(F)Oc2ccc(-c3ccc(F)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
KIF11 P52732 9/20 0.33
CNR1 P21554 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRNA7 P36544 1/20 0.31
CYP17A1 P05093 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
PRMT6 Q96LA8 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
SCHEMBL17377901 0.91 CYP11B1 (0.34) CYP11B1CYP11B2KIF11CNR1CTSS
SCHEMBL17355431 0.90 AR (0.32) CTSSCTSK
SCHEMBL17377921 0.89 GCGR (0.31)
SCHEMBL17355464 0.89 CYP11B1 (0.33) CYP11B1CYP11B2KIF11CNR1CHRM5
SCHEMBL17355440 0.89 ALOX5AP (0.37) CTSSCTSK
SCHEMBL17365897 0.84 CTSL (0.34) CYP11B1CYP11B2CTSSCTSK
SCHEMBL17532078 0.83 CNR1 (0.31) CNR1
SCHEMBL17355608 0.83 KIF11 (0.34) CYP11B1CYP11B2KIF11RARARARB
SCHEMBL17355420 0.82 CTSL (0.33) CTSSCTSK
SCHEMBL17532177 0.81 CNR1 (0.30) CNR1CTSSCTSK

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-9657229-B2 Liquid crystal compound having difluoromethyleneoxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 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 CYP11B1 4164/4885CYP11B2 4424/4885KIF11 839/4885

“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.