SCHEMBL3655657

SCHEMBL3655657

Oc1ccc(C2=Cc3ccc(O)cc3CCC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PRKCI P41743 1/20 0.45
ESR1 P03372 14/20 0.40
ESR2 Q92731 10/20 0.40
HSD17B1 P14061 2/20 0.35
AR P10275 1/20 0.34
HSD17B2 P37059 1/20 0.33

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
SCHEMBL22569105 0.93 MAOA (0.42) MAOAMAOBPRKCIESR1ESR2
SCHEMBL3850212 0.87 ESR1 (0.42) MAOAMAOBPRKCIESR1ESR2
SCHEMBL3656152 0.87 PTGS2 (0.46) MAOAMAOBESR1
SCHEMBL3653846 0.85 ESR1 (0.38) MAOAMAOBPRKCIESR1ESR2
SCHEMBL3657675 0.84 MAOA (0.42) MAOAMAOBPRKCIESR1ESR2
SCHEMBL3650070 0.83 MAOA (0.46) MAOAMAOBPRKCIESR1ESR2
SCHEMBL3651272 0.82 MAOA (0.40) MAOAMAOBPRKCIESR1ESR2
SCHEMBL3652345 0.82 MAOA (0.45) MAOAMAOBPRKCIESR1ESR2
SCHEMBL3656163 0.81 MAOA (0.42) MAOAMAOBPRKCIESR1ESR2
SCHEMBL3649796 0.81 ESR1 (0.41) MAOAMAOBPRKCIESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200962-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY Bayer Schering Pharma Aktiengesellschaft (DE) 2010-06-30 EP claimed
US-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AG (DE) 2009-04-16 US claimed
WO-2009047343-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-04-16 WO claimed
EP-2200962-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY Bayer Schering Pharma Aktiengesellschaft (DE) 2010-06-30 EP disclosed
US-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AG (DE) 2009-04-16 US disclosed
WO-2009047343-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-04-16 WO disclosed
EP-2048126-A1 Benzocycloheptane derivatives as selectively active oestrogens Bayer Schering Pharma AG (DE) 2009-04-15 EP 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-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY CYP19A1, HSD17B11, CYP21A2 MAOA 1379/4885MAOB 1208/4885PRKCI 4185/4885

“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.