SCHEMBL17487740

SCHEMBL17487740

CCCc1ccc(C2CCC(c3ccc(CCc4ccc(F)c(F)c4)c(F)c3F)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
HTR6 P50406 1/20 0.34
SPHK2 Q9NRA0 7/20 0.33
MAOB P27338 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
SCHEMBL17487469 0.85 OPRL1 (0.35) HTR6MAOB
SCHEMBL17487760 0.82 OPRL1 (0.33) HTR6MAOB
SCHEMBL17487901 0.81 PANK3 (0.30)
SCHEMBL10301581 0.81 TYR (0.34) SPHK1
SCHEMBL10301580 0.80 PANK3 (0.34) HTR6
SCHEMBL10301582 0.80 SPHK1 (0.36) SPHK1SPHK2
SCHEMBL9754134 0.79 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL9754142 0.79 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL12735435 0.79 RARB (0.34)
SCHEMBL17487392 0.78 DAO (0.41)

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 SPHK1 2092/4885HTR6 3899/4885SPHK2 2384/4885

“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.