SCHEMBL3657421

SCHEMBL3657421

COc1ccc2c(c1)CCCC(C)(c1ccc(O)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
CYP26A1 O43174 2/20 0.44
ADRA2A P08913 1/20 0.42
ESR1 P03372 1/20 0.42
DRD1 P21728 5/20 0.40
DRD2 P14416 4/20 0.40
DRD5 P21918 4/20 0.40
DRD3 P35462 4/20 0.40
DRD4 P21917 3/20 0.40
MIF P14174 1/20 0.39
PRNP P04156 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CXCR5 P32302 1/20 0.38

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
SCHEMBL3847804 0.92 ESR1 (0.42) KDM1ACYP26A1ADRA2AESR1MIF
SCHEMBL3649238 0.92 KDM1A (0.49) KDM1AADRA2ADRD1DRD2DRD5
SCHEMBL3649486 0.86 ESR1 (0.43) ESR1DRD1DRD2DRD5DRD3
SCHEMBL13875403 0.86 ESR1 (0.43) ESR1DRD1DRD2DRD5DRD3
SCHEMBL3655452 0.81 CYP26A1 (0.44) KDM1ACYP26A1ADRA2AESR1DRD1
SCHEMBL3651566 0.80 KDM1A (0.44) KDM1ACYP26A1ADRA2AESR1DRD1
SCHEMBL3652983 0.74 CYP19A1 (0.34) ESR1
SCHEMBL5678438 0.74 KDM1A (0.51) KDM1AADRA2ADRD1DRD2DRD5
SCHEMBL3653751 0.73 OPRD1 (0.54) ESR1DRD1DRD2DRD5DRD3
SCHEMBL3844606 0.73 ESR2 (0.39) ESR1DRD1DRD2DRD5DRD3

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 5 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
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 KDM1A 2946/4885CYP26A1 19/4885ADRA2A 902/4885

“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.