SCHEMBL17487807

SCHEMBL17487807

C=CCCc1ccc(-c2ccc(-c3ccc(CCc4cc(F)c(F)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.33
CYP21A2 P08686 1/20 0.33
CYP11B1 P15538 1/20 0.33
RARB P10826 1/20 0.32
MAOB P27338 1/20 0.31
MPL P40238 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL17487464 0.93 CHKA (0.33)
SCHEMBL17487595 0.92 CHKA (0.33) CYP17A1CYP21A2CYP11B1
SCHEMBL16692267 0.89 MAOB (0.33) RARBMAOBMPL
SCHEMBL17487517 0.88 RARB (0.34) RARBMPL
SCHEMBL17487678 0.88 CHKA (0.32) RARB
SCHEMBL18540247 0.86 RARB (0.39) CYP17A1CYP21A2CYP11B1RARBMAOB
SCHEMBL20023228 0.84 MAOB (0.36) RARBMAOBTAAR1
SCHEMBL18540037 0.83 CHKA (0.36)
SCHEMBL18540030 0.83 CHKA (0.36)
SCHEMBL13253194 0.83 RARB (0.39) CYP17A1CYP21A2CYP11B1RARBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 CYP17A1 2259/4885CYP21A2 1987/4885CYP11B1 4513/4885

“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.