SCHEMBL9979284

SCHEMBL9979284

CCCC1CCC(C2CCC(O)(c3ccc(OCC)c(F)c3F)CC2)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.32
KDM1A O60341 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL2882641 0.87 OPRM1 (0.32) TLR4OPRM1OPRK1OPRL1
SCHEMBL13235182 0.87 OPRM1 (0.32) TLR4OPRM1OPRK1OPRL1
SCHEMBL2931710 0.87 S1PR5 (0.34) OPRM1OPRK1OPRL1
SCHEMBL17072246 0.86 OPRM1 (0.32) TLR4OPRM1OPRK1OPRL1
SCHEMBL2882773 0.86 OPRM1 (0.32) OPRM1OPRK1OPRL1
SCHEMBL13235177 0.86 OPRM1 (0.32) OPRM1OPRK1OPRL1
SCHEMBL17072237 0.84
SCHEMBL20808415 0.83 OPRM1 (0.35) TLR4OPRM1OPRK1OPRL1
SCHEMBL20808413 0.83 OPRM1 (0.35) TLR4OPRM1OPRK1OPRL1
SCHEMBL20797235 0.83 OPRM1 (0.35) TLR4OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999197-B2 Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-20140054499-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-27 US disclosed
US-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-22 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-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CTNND1, HCN1, CTNNA1 TLR4 3605/4885KDM1A 1823/4885OPRM1 1326/4885

“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.