SCHEMBL3849905

SCHEMBL3849905

CCCC1=C(c2ccccc2)CCCc2cc(OC)ccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.59
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ACHE P22303 1/20 0.43
MPO P05164 1/20 0.43
CYP27A1 Q02318 2/20 0.42
CYP24A1 Q07973 2/20 0.42
NPY5R Q15761 1/20 0.41
NQO2 P16083 1/20 0.41
MIF P14174 1/20 0.41
CYP19A1 P11511 2/20 0.40
CYP11B2 P19099 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 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
SCHEMBL3849269 0.93 ESR1 (0.57) ESR1EBPSIGMAR1ACHEMPO
SCHEMBL3847255 0.92 ESR1 (0.52) ESR1EBPSIGMAR1MPOCYP19A1
SCHEMBL3852865 0.90 ESR1 (0.61) ESR1EBPSIGMAR1ACHEMPO
SCHEMBL3651345 0.88 ESR1 (0.63) ESR1MPOCYP24A1MIF
SCHEMBL15028516 0.85 ESR1 (0.56) ESR1EBPSIGMAR1ACHECYP27A1
SCHEMBL15028579 0.85 ESR1 (0.56) ESR1EBPSIGMAR1ACHECYP27A1
SCHEMBL3657949 0.83 ESR1 (0.63) ESR1MIFMAOAMAOB
SCHEMBL3653454 0.82 ESR1 (0.58) ESR1MAOAMAOB
SCHEMBL3653309 0.82 ESR1 (0.54) ESR1EBPSIGMAR1MPOCYP19A1
SCHEMBL3650114 0.81 ESR1 (0.54) ESR1EBPSIGMAR1ACHECYP24A1

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 4/4885EBP 99/4885SIGMAR1 330/4885

“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.