SCHEMBL3653309

SCHEMBL3653309

CCC1=C(c2ccc(OC)cc2)CCCc2cc(OC)ccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.54
MPO P05164 1/20 0.50
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP19A1 P11511 3/20 0.43
CYP11B2 P19099 3/20 0.43
HSD17B1 P14061 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ESR2 Q92731 1/20 0.43
FGF23 Q9GZV9 1/20 0.42
CYP11B1 P15538 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3656979 0.92 ESR1 (0.65) ESR1MPOEBPSIGMAR1HSD17B1
SCHEMBL3852865 0.92 ESR1 (0.61) ESR1MPOEBPSIGMAR1CYP19A1
SCHEMBL3646912 0.90 ESR1 (0.65) ESR1SLC6A3ESR2FGF23
SCHEMBL3847255 0.89 ESR1 (0.52) ESR1MPOPTGS1PTGS2EBP
SCHEMBL3655152 0.84 ESR1 (0.50) ESR1MPOPTGS1PTGS2EBP
SCHEMBL3651345 0.82 ESR1 (0.63) ESR1MPOHSD17B1ESR2
SCHEMBL3849905 0.82 ESR1 (0.59) ESR1MPOEBPSIGMAR1CYP19A1
SCHEMBL15028586 0.81 ESR1 (0.50) ESR1MPOPTGS1PTGS2EBP
SCHEMBL15028666 0.81 ESR1 (0.50) ESR1MPOPTGS1PTGS2EBP
SCHEMBL3844220 0.81 ESR1 (0.57) ESR1MPOPTGS1PTGS2EBP

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 4/4885MPO 2060/4885PTGS1 991/4885

“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.