SCHEMBL11939769

SCHEMBL11939769

Oc1ccc(CCC2CCC(c3ccc(-c4ccc(O)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 8/20 0.34
▸ OPRM1 P35372 8/20 0.34
▸ OPRK1 P41145 8/20 0.34
▸ OPRD1 P41143 2/20 0.33
▸ ESR2 Q92731 1/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 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
SCHEMBL11939214 1.00 OPRL1 (0.34) OPRL1OPRM1OPRK1OPRD1ESR2
SCHEMBL12224526 0.96 OPRL1 (0.33) OPRL1OPRM1OPRK1OPRD1
SCHEMBL12224543 0.95 OPRL1 (0.37) OPRL1OPRM1OPRK1OPRD1ESR2
SCHEMBL11939038 0.89 — —
SCHEMBL11938859 0.89 CTSL (0.32) —
SCHEMBL11939161 0.89 CTSL (0.32) —
SCHEMBL12223979 0.89 OPRL1 (0.36) OPRL1ESR2ALOX5APFEN1
SCHEMBL12222838 0.87 OPRM1 (0.30) OPRM1OPRK1OPRD1
SCHEMBL12222840 0.86 CTSL (0.31) —
SCHEMBL12223444 0.86 OPRL1 (0.33) OPRL1OPRM1OPRK1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479162-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-07-25 — — EP disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 OPRL1 1266/4885OPRM1 370/4885OPRK1 921/4885

“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.

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