SCHEMBL17356587

SCHEMBL17356587

CCCC1CCC(c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
OPRL1 P41146 15/20 0.34
CYP2C9 P11712 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
NOTUM Q6P988 1/20 0.32
DGAT1 O75907 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL17356553 0.90 OPRL1 (0.37) OPRL1CYP2C9DGAT1ALDH1A1LMNA
SCHEMBL17487831 0.88 GRM2 (0.32) GRM2OPRL1
SCHEMBL17356640 0.86 OPRL1 (0.35) OPRL1CYP2C9DGAT1ALDH1A1LMNA
SCHEMBL17356590 0.85 OPRL1 (0.37) OPRL1CYP2C9DGAT1ALDH1A1LMNA
SCHEMBL17365928 0.85 OPRL1 (0.30) OPRL1
SCHEMBL17365820 0.84
SCHEMBL17487871 0.84
SCHEMBL17356595 0.84 OPRL1 (0.34) OPRL1CYP2C9DGAT1ALDH1A1LMNA
SCHEMBL17487833 0.84 GRM2 (0.35) GRM2OPRL1CYP2C9OPRM1OPRK1
SCHEMBL17356598 0.83 OPRL1 (0.38) OPRL1DGAT1

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-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 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-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX3, OCIAD1, PIEZO1 GRM2 3541/4885OPRL1 207/4885CYP2C9 1859/4885

“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.