SCHEMBL279646

SCHEMBL279646

CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(F)(F)C1CCC(C)CC21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.44
▸ OPRM1 P35372 1/20 0.41
▸ CNR2 P34972 2/20 0.38
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL31544901 0.90 KDR (0.53) KDRCNR2CNR1
SCHEMBL279412 0.89 KDR (0.45) KDRCNR2CNR1
SCHEMBL279645 0.87 KDR (0.46) KDRCNR2CNR1
SCHEMBL279753 0.85 CNR2 (0.33) KDROPRM1CNR2CNR1
SCHEMBL31545938 0.85 CNR2 (0.41) CNR2CNR1
SCHEMBL279874 0.83 CNR2 (0.51) KDRCNR2CNR1
SCHEMBL279804 0.80 KDR (0.66) KDRCNR2CNR1
SCHEMBL279382 0.80 OPRM1 (0.55) KDROPRM1CNR2CNR1
SCHEMBL11728967 0.80 CNR2 (0.59) KDRCNR2
SCHEMBL11634629 0.80 CNR2 (0.59) KDRCNR2

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-8133887-B2 Oxaphenanthrene derivatives MERCK PATENT GMBH (DE) 2012-03-13 — — US disclosed
EP-1963299-B1 OXAPHENANTHRENE DERIVATIVES MERCK PATENT GMBH (DE) 2012-01-18 — — EP disclosed
US-20080312224-A1 Oxaphenanthrene Derivatives MERCK PATENT GMBH (DE) 2008-12-18 — — 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-20080312224-A1 Oxaphenanthrene Derivatives CYP3A43, CYP1A1, CYP1A2 KDR 1595/4885OPRM1 281/4885CNR2 1588/4885

“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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