SCHEMBL3853852

SCHEMBL3853852

CC1(c2cc(F)c(O)c(F)c2)CCCc2cc(O)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
ESR2 Q92731 5/20 0.39
DRD1 P21728 5/20 0.37
DRD5 P21918 5/20 0.37
DRD2 P14416 4/20 0.37
DRD3 P35462 4/20 0.37
DRD4 P21917 3/20 0.37
OPRD1 P41143 3/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL3647466 0.86 ESR1 (0.40) ESR1ESR2DRD1DRD5DRD2
SCHEMBL3652996 0.84 ESR1 (0.40) ESR1ESR2DRD1DRD5DRD2
SCHEMBL3648881 0.84 ESR1 (0.43) ESR1ESR2DRD1DRD5DRD2
SCHEMBL13875403 0.84 ESR1 (0.43) ESR1ESR2DRD1DRD5DRD2
SCHEMBL3649486 0.84 ESR1 (0.43) ESR1ESR2DRD1DRD5DRD2
SCHEMBL3657187 0.81 ESR1 (0.38) ESR1ESR2DRD1DRD5DRD2
SCHEMBL3657954 0.81 ESR2 (0.40) ESR1ESR2DRD1DRD5DRD2
SCHEMBL3653182 0.80 ESR2 (0.45) ESR1ESR2
SCHEMBL3653751 0.80 OPRD1 (0.54) ESR1ESR2DRD1DRD5DRD2
SCHEMBL3656789 0.77 ESR2 (0.40) ESR1ESR2DRD1DRD5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AG (DE) 2009-04-16 US 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 ESR1 4/4885ESR2 23/4885DRD1 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.