SCHEMBL17355608

SCHEMBL17355608

CCCc1ccc(-c2ccc(CCc3ccc(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3F)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
RARB P10826 3/20 0.33
RARA P10276 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RARG P13631 1/20 0.33
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 1/20 0.31
CHRM5 P08912 1/20 0.31
MCL1 Q07820 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
SCHEMBL17355558 0.91
SCHEMBL18887659 0.88 CYP11B1 (0.34) KIF11CYP11B1CYP11B2CHRM5
SCHEMBL14227481 0.87 KIF11 (0.43) KIF11RARBRARACYP11B1CYP11B2
SCHEMBL17369474 0.87 RXRA (0.33) KIF11RARBRARARARGS1PR1
SCHEMBL17377901 0.86 CYP11B1 (0.34) KIF11CYP11B1CYP11B2
SCHEMBL17377924 0.86 KIF11 (0.35) KIF11RARBRARACYP11B1CYP11B2
SCHEMBL17355420 0.85 CTSL (0.33)
SCHEMBL17369499 0.84 GRM2 (0.33) S1PR1S1PR3
SCHEMBL17377955 0.84 KIF11 (0.35) KIF11RARBRARARARGS1PR1
SCHEMBL17377957 0.84

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 5 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-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
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 KIF11 839/4885RARB 3248/4885RARA 2872/4885

“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.