SCHEMBL3844042

SCHEMBL3844042

COc1ccc2c(c1)CCCC(c1ccccc1)=C2C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.65
EBP Q15125 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
NPY5R Q15761 1/20 0.45
MIF P14174 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP19A1 P11511 5/20 0.44
CYP11B2 P19099 4/20 0.44
CYP11B1 P15538 2/20 0.43
CYP26A1 O43174 1/20 0.43
CYP24A1 Q07973 1/20 0.43
CYP17A1 P05093 1/20 0.43

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
SCHEMBL3844220 0.91 ESR1 (0.57) ESR1EBPSIGMAR1MAPTMAPK1
SCHEMBL3657155 0.86 ESR1 (0.70) ESR1MIFCYP19A1CYP11B2CYP26A1
SCHEMBL3852865 0.82 ESR1 (0.61) ESR1EBPSIGMAR1ACHENPY5R
SCHEMBL3651816 0.81 ESR1 (0.70) ESR1MIF
SCHEMBL3849905 0.80 ESR1 (0.59) ESR1EBPSIGMAR1ACHENPY5R
SCHEMBL3646608 0.79 ESR1 (0.61) ESR1CYP26A1
SCHEMBL26957293 0.79 ESR1 (1.00) ESR1EBPSIGMAR1MIFCYP26A1
SCHEMBL3849269 0.78 ESR1 (0.57) ESR1EBPSIGMAR1ACHENPY5R
SCHEMBL15028516 0.78 ESR1 (0.56) ESR1EBPSIGMAR1ACHEMAPT
SCHEMBL15028579 0.78 ESR1 (0.56) ESR1EBPSIGMAR1ACHEMAPT

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.