SCHEMBL17487809

SCHEMBL17487809

CCCCC1CCC(c2ccc(-c3ccc(CCc4cc(F)c(F)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.35
MPL P40238 5/20 0.33
FFAR4 Q5NUL3 1/20 0.33
OPRL1 P41146 6/20 0.32
HRH3 Q9Y5N1 1/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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 0.97 RARB (0.37) RARBMPLFFAR4OPRL1RARA
SCHEMBL17487808 0.93 OPRL1 (0.33) RARBMPLFFAR4OPRL1
SCHEMBL17487858 0.91 RARB (0.38) RARBMPLFFAR4OPRL1HRH3
SCHEMBL17487980 0.91 RARB (0.39) RARBMPLFFAR4RARARARG
SCHEMBL18779736 0.89 MAOA (0.33) RARBMPLFFAR4HRH3SPHK1
SCHEMBL16407266 0.86 GAA (0.33) OPRL1MEN1GAAMAPK1KMT2A
SCHEMBL17487818 0.86 ALOX5AP (0.34) RARBFFAR4OPRL1
SCHEMBL12739984 0.85 FFAR4 (0.36) RARBMPLFFAR4OPRL1
SCHEMBL18779733 0.85 RARB (0.35) RARBMPLFFAR4HRH3RARA
SCHEMBL17487831 0.85 GRM2 (0.32) RARBFFAR4OPRL1

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 3736/4885MPL 4784/4885FFAR4 1903/4885

“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.