SCHEMBL17487629

SCHEMBL17487629

CCCc1ccc(CCc2ccc(-c3cc(F)c(F)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
CYP17A1 P05093 1/20 0.37
CYP21A2 P08686 1/20 0.37
CYP11B1 P15538 1/20 0.37
MAOB P27338 1/20 0.36
ALOX5 P09917 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
MCL1 Q07820 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ANPEP P15144 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL9406155 0.88 ALOX5 (0.40) RARBRARARARGMAOBALOX5
SCHEMBL10301940 0.88 RARB (0.45) RARBRARARARGCYP17A1CYP11B1
SCHEMBL10301939 0.86 RARB (0.41) RARBRARARARGCYP17A1CYP21A2
SCHEMBL10301937 0.86 RARB (0.44) RARBRARARARGMAOBALOX5
SCHEMBL14525745 0.86 RARB (0.46) RARBRARARARGCYP17A1CYP21A2
SCHEMBL16258127 0.86 RARB (0.46) RARBRARARARGCYP17A1CYP21A2
SCHEMBL9764255 0.86 RARB (0.46) RARBRARARARGCYP17A1CYP21A2
SCHEMBL10301941 0.85 RARB (0.46) RARBRARARARGTAAR1MCL1
SCHEMBL17487563 0.85 LPL (0.36) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL6889224 0.85 TAAR1 (0.39) RARBRARARARGCYP17A1CYP21A2

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 RARB 3736/4885RARA 2961/4885RARG 4107/4885

“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.