SCHEMBL3655069

SCHEMBL3655069

COc1ccc(C2=Cc3ccc(OC)cc3CCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.69
CYP11B2 P19099 6/20 0.64
CYP11B1 P15538 5/20 0.64
CYP19A1 P11511 1/20 0.57
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PTGS1 P23219 2/20 0.42
KDM1A O60341 1/20 0.41
ESR1 P03372 1/20 0.41
BCL2 P10415 1/20 0.40
FGF23 Q9GZV9 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL22569104 0.91 PTGS2 (0.63) PTGS2CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL22568906 0.91 PTGS2 (0.62) PTGS2CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL9054140 0.90 PTGS2 (0.78) PTGS2CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL22568913 0.88 PTGS2 (0.62) PTGS2CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL22568915 0.87 PTGS2 (0.62) PTGS2CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL4127673 0.87 PTGS2 (0.65) PTGS2CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL22568905 0.84 PTGS2 (0.50) PTGS2CYP11B2CYP11B1CYP19A1ESR1
SCHEMBL225239 0.81 PTGS2 (0.51) PTGS2CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL30952382 0.81 CYP11B2 (0.73) PTGS2CYP11B2CYP11B1CYP19A1MAOA
SCHEMBL22568904 0.81 CYP11B2 (0.73) PTGS2CYP11B2CYP11B1CYP19A1MAOA

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 3 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 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

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 PTGS2 1642/4885CYP11B2 49/4885CYP11B1 24/4885

“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.