SCHEMBL17487980

SCHEMBL17487980

CCCCCC1CCC(c2ccc(-c3ccc(CCc4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
S1PR3 Q99500 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
S1PR1 P21453 2/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MPL P40238 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30
SPHK1 Q9NYA1 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
SCHEMBL17487810 0.94 RARB (0.37) RARBS1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL17487809 0.91 RARB (0.35) RARBRARARARGGAAMPL
SCHEMBL17487985 0.90 RARB (0.34) RARBS1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL17356592 0.89 GAA (0.37) GAAMAPT
SCHEMBL17487978 0.89 FFAR4 (0.33) RARBGAAMAPTFFAR4
SCHEMBL17356666 0.88 GAA (0.38) CYP2D6CYP2C9CYP2C19GAAMAPT
SCHEMBL12739990 0.87 LYPLA1 (0.36) RARBFFAR4
SCHEMBL17487808 0.87 OPRL1 (0.33) RARBCYP2C9MPLFFAR4
SCHEMBL17487983 0.86 S1PR1 (0.37) RARBS1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL17487969 0.86 RARB (0.35) RARBCYP3A4CYP2C9FFAR4SPHK1

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 2 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-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 3736/4885S1PR3 1279/4885CYP3A4 1995/4885

“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.