SCHEMBL4700013

SCHEMBL4700013

CCCCCc1cc(O)c2c(c1)OC(F)(F)[C@@H]1CCCC[C@@H]21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.57
▸ CNR2 P34972 9/20 0.54
▸ CNR1 P21554 9/20 0.54
▸ OPRM1 P35372 2/20 0.53
▸ ABHD12 Q8N2K0 3/20 0.52
▸ ABHD6 Q9BV23 3/20 0.52
▸ FAAH O00519 2/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ LDHA P00338 1/20 0.52
▸ GLRA1 P23415 1/20 0.52
▸ GPR183 P32249 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ ENPP2 Q13822 1/20 0.52
▸ GPR18 Q14330 1/20 0.52
▸ TRPM8 Q7Z2W7 1/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.52

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
SCHEMBL279392 1.00 KDR (0.57) KDRCNR2CNR1OPRM1ABHD12
SCHEMBL5097376 1.00 KDR (0.57) KDRCNR2CNR1OPRM1ABHD12
SCHEMBL279759 1.00 KDR (0.57) KDRCNR2CNR1OPRM1ABHD12
SCHEMBL13998620 0.90 KDR (0.58) KDRCNR2CNR1OPRM1ABHD12
SCHEMBL11484472 0.86 CNR2 (0.66) KDRCNR2CNR1ABHD12ABHD6
SCHEMBL279382 0.86 OPRM1 (0.55) KDRCNR2CNR1OPRM1ABHD12
SCHEMBL279789 0.84 CNR2 (0.58) KDRCNR2CNR1ABHD12ABHD6
SCHEMBL5097828 0.84 CNR2 (0.58) KDRCNR2CNR1ABHD12ABHD6
SCHEMBL280014 0.84 CNR2 (0.58) KDRCNR2CNR1ABHD12ABHD6
SCHEMBL279664 0.83 CNR1 (0.53) KDRCNR2CNR1OPRM1

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-20080312224-A1 Oxaphenanthrene Derivatives MERCK PATENT GMBH (DE) 2008-12-18 — — US disclosed
EP-1963299-A1 OXAPHENANTHRENE DERIVATIVES Merck Patent GmbH (DE) 2008-09-03 — — EP disclosed
WO-2007079830-A1 OXAPHENANTHRENE DERIVATIVES MERCK PATENT GMBH (DE) 2007-07-19 — — WO 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 1595/4885CNR2 1588/4885CNR1 1123/4885

“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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