SCHEMBL3654013

SCHEMBL3654013

C=CC1=C(c2ccc(OC)cc2)CCCc2cc(OC)ccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.53
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
CYP19A1 P11511 6/20 0.45
CYP11B2 P19099 6/20 0.45
FGF23 Q9GZV9 1/20 0.44
CYP11B1 P15538 2/20 0.42
SLC6A3 Q01959 1/20 0.42
MPO P05164 1/20 0.40
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
METAP1 P53582 1/20 0.38
ACHE P22303 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
SCHEMBL3709483 0.90 ESR1 (0.50) ESR1PTGS1PTGS2CYP19A1CYP11B2
SCHEMBL3655152 0.81 ESR1 (0.50) ESR1PTGS1PTGS2CYP19A1CYP11B2
SCHEMBL3844220 0.80 ESR1 (0.57) ESR1PTGS1PTGS2CYP19A1CYP11B2
SCHEMBL9516545 0.78 MIF (0.45) ESR1CYP19A1CYP11B2EBPSIGMAR1
SCHEMBL3653309 0.77 ESR1 (0.54) ESR1PTGS1PTGS2CYP19A1CYP11B2
SCHEMBL3652965 0.76 MAOA (0.47) ESR1
SCHEMBL3847255 0.75 ESR1 (0.52) ESR1PTGS1PTGS2CYP19A1CYP11B2
SCHEMBL3709839 0.73 ESR1 (0.48) ESR1PTGS1PTGS2CYP19A1CYP11B2
SCHEMBL3657155 0.73 ESR1 (0.70) ESR1PTGS1PTGS2CYP19A1CYP11B2
SCHEMBL3844042 0.72 ESR1 (0.65) ESR1CYP19A1CYP11B2CYP11B1EBP

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
US-20090099250-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AG (DE) 2009-04-16 US 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 4/4885PTGS1 991/4885PTGS2 1642/4885

“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.