SCHEMBL17487516

SCHEMBL17487516

CCCC1CCC(c2ccc(CCCCc3cc(F)c(F)c(F)c3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.34
CYP2C9 P11712 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
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
SCHEMBL17487468 0.93 OPRL1 (0.35) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL17487729 0.89 OPRL1 (0.33) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL17487693 0.88 OPRL1 (0.33) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL17487603 0.88 OPRL1 (0.35) OPRL1
SCHEMBL17487835 0.87 OPRL1 (0.38) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9406170 0.87 CYP2C9 (0.36) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9406177 0.87 CYP2C9 (0.36) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12733615 0.87 CYP2C9 (0.36) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12734995 0.86 OPRL1 (0.36) OPRL1SPHK1
SCHEMBL12716077 0.86 CYP2C9 (0.37) OPRL1CYP2C9ALDH1A1LMNAMAPT

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 542/4885CYP2C9 1749/4885HRH3 2024/4885

“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.