SCHEMBL3653166

SCHEMBL3653166

Cc1cc(O)ccc1C1(C)CCCc2cc(O)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.44
ESR1 P03372 6/20 0.44
DRD1 P21728 5/20 0.38
DRD5 P21918 5/20 0.38
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
DRD4 P21917 3/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
SOD1 P00441 1/20 0.35

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
SCHEMBL3651628 0.85 ESR1 (0.44) ESR2ESR1DRD1DRD5DRD2
SCHEMBL3648881 0.84 ESR1 (0.43) ESR2ESR1DRD1DRD5DRD2
SCHEMBL3649486 0.83 ESR1 (0.43) ESR2ESR1DRD1DRD5DRD2
SCHEMBL13875403 0.83 ESR1 (0.43) ESR2ESR1DRD1DRD5DRD2
SCHEMBL3656306 0.82 ESR2 (0.44) ESR2ESR1DRD1DRD5DRD2
SCHEMBL3656168 0.81 ESR1 (0.40) ESR2ESR1DRD1DRD5DRD2
SCHEMBL3655515 0.81 ESR2 (0.40) ESR2ESR1DRD1DRD5DRD2
SCHEMBL3657954 0.81 ESR2 (0.40) ESR2ESR1DRD1DRD5DRD2
SCHEMBL3657381 0.81 ESR1 (0.40) ESR2ESR1DRD1DRD5DRD2
SCHEMBL3656789 0.80 ESR2 (0.40) ESR2ESR1DRD1DRD5DRD2

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 6 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-2048126-A1 Benzocycloheptane derivatives as selectively active oestrogens Bayer Schering Pharma AG (DE) 2009-04-15 EP claimed
US-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AG (DE) 2009-04-16 US 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 ESR2 23/4885ESR1 4/4885DRD1 1307/4885

“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.