SCHEMBL3657155

SCHEMBL3657155

COc1ccc2c(c1)CCCC(c1ccc(O)cc1)=C2C

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.70
CYP26A1 O43174 2/20 0.47
MIF P14174 1/20 0.47
CYP24A1 Q07973 1/20 0.44
ESR2 Q92731 2/20 0.44
HSD17B1 P14061 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP19A1 P11511 2/20 0.42
CYP11B2 P19099 2/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL3651816 0.92 ESR1 (0.70) ESR1MIFESR2PTGS1PTGS2
SCHEMBL3844220 0.92 ESR1 (0.57) ESR1PTGS1PTGS2CYP19A1CYP11B2
SCHEMBL3844042 0.86 ESR1 (0.65) ESR1CYP26A1MIFCYP24A1CYP19A1
SCHEMBL3653128 0.86 ESR1 (0.53) ESR1ESR2HSD17B1
SCHEMBL3656979 0.83 ESR1 (0.65) ESR1CYP26A1MIFCYP24A1ESR2
SCHEMBL26957293 0.82 ESR1 (1.00) ESR1CYP26A1MIFESR2
SCHEMBL3651345 0.81 ESR1 (0.63) ESR1CYP26A1MIFCYP24A1ESR2
SCHEMBL5851662 0.80 ESR1 (0.88) ESR1ESR2
SCHEMBL3646608 0.77 ESR1 (0.61) ESR1CYP26A1ESR2HSD17B1
SCHEMBL7623247 0.77 ESR1 (0.75) ESR1CYP26A1MIFESR2

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 4/4885CYP26A1 19/4885MIF 3992/4885

“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.