SCHEMBL3655133

SCHEMBL3655133

CC1=C(c2ccc(O)c(Cl)c2)CCCc2cc(O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.44
ESR2 Q92731 7/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PRKCI P41743 1/20 0.44
HSD17B1 P14061 1/20 0.40
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.36

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
SCHEMBL3653128 0.86 ESR1 (0.53) ESR1ESR2MAOAMAOBPRKCI
SCHEMBL3843921 0.85 HSD17B1 (0.47) ESR1ESR2MAOAMAOBPRKCI
SCHEMBL3655833 0.83 ESR1 (0.54) ESR1ESR2MAOAMAOBPRKCI
SCHEMBL3656965 0.82 ESR1 (0.50) ESR1ESR2MAOAMAOBPRKCI
SCHEMBL3651221 0.81 MAOA (0.50) ESR1ESR2MAOAMAOBPRKCI
SCHEMBL3657166 0.81 ESR1 (0.43) ESR1ESR2MAOAMAOBPRKCI
SCHEMBL3646608 0.80 ESR1 (0.61) ESR1ESR2MAOAMAOBPRKCI
SCHEMBL3651816 0.78 ESR1 (0.70) ESR1ESR2MAOAMAOBPRKCI
SCHEMBL3649484 0.77 MAOA (0.43) ESR1ESR2MAOAMAOBPRKCI
SCHEMBL3656914 0.77 MAOA (0.51) ESR1ESR2MAOAMAOBPRKCI

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 ESR1 4/4885ESR2 23/4885MAOA 1379/4885

“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.