SCHEMBL2931710

SCHEMBL2931710

CCCCOc1ccc(C2(O)CCC(C3CCC(CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.34
S1PR1 P21453 1/20 0.34
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
PPARG P37231 1/20 0.31
PDK2 Q15119 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
SCHEMBL14389809 0.89 S1PR5 (0.33) S1PR5S1PR1PTGESALOX5PPARG
SCHEMBL9979284 0.87 TLR4 (0.32) OPRM1OPRK1OPRL1
SCHEMBL20808415 0.85 OPRM1 (0.35) OPRM1OPRK1OPRL1
SCHEMBL20808413 0.85 OPRM1 (0.35) OPRM1OPRK1OPRL1
SCHEMBL20797235 0.85 OPRM1 (0.35) OPRM1OPRK1OPRL1
SCHEMBL2882641 0.84 OPRM1 (0.32) OPRM1OPRK1OPRL1PDK2
SCHEMBL13235182 0.84 OPRM1 (0.32) OPRM1OPRK1OPRL1PDK2
SCHEMBL4409430 0.84 S1PR5 (0.35) S1PR5S1PR1
SCHEMBL421950 0.84 SCN9A (0.34) S1PR5S1PR1
SCHEMBL2882773 0.83 OPRM1 (0.32) OPRM1OPRK1OPRL1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852429-B1 Hexahydro dibenzofuran derivatives MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
US-7417157-B2 Hexahydrodibenzofuran derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-08-26 US disclosed
US-7417157-B2 Hexahydrodibenzofuran derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-08-26 US disclosed
US-7417157-B2 Hexahydrodibenzofuran derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-08-26 US disclosed
EP-1852429-A1 Hexahydro dibenzofuran derivatives Merck Patent GmbH (DE) 2007-11-07 EP disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 US disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 US disclosed
US-20070247585-A1 Hexahydrodibenzofuran derivatives MERCK PATENT GMBH 2007-10-25 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-20070247585-A1 Hexahydrodibenzofuran derivatives HEXD, CFD, EDF1 S1PR5 3313/4885S1PR1 3488/4885PTGES 4837/4885

“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.