SCHEMBL17487904

SCHEMBL17487904

CCCc1ccc(C2CCC(C3CCC(CCc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL17487603 0.96 OPRL1 (0.35) OPRL1MAOAMAOB
SCHEMBL17487729 0.91 OPRL1 (0.33) OPRL1
SCHEMBL17487468 0.87 OPRL1 (0.35) OPRL1
SCHEMBL17487835 0.86 OPRL1 (0.38) OPRL1
SCHEMBL18779822 0.86 CYP2C9 (0.36) OPRL1
SCHEMBL10302154 0.86 OPRL1 (0.33) OPRL1HTR2AHTR2CMAOAMAOB
SCHEMBL17487903 0.86
SCHEMBL17487934 0.86 OPRL1 (0.31) OPRL1MAOAMAOB
SCHEMBL22277500 0.85 CYP2C9 (0.35) OPRL1
SCHEMBL22277191 0.85 CYP2C9 (0.35) OPRL1

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 OPRL1 542/4885HTR2A 2278/4885HTR2C 882/4885

“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.