SCHEMBL4258948

SCHEMBL4258948

CC(C)(C)OC(=O)/C=C/c1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.60
ESR2 Q92731 4/20 0.60
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
CA2 P00918 3/20 0.47
TYR P14679 1/20 0.47
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
F3 P13726 2/20 0.42

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
SCHEMBL4257437 1.00 ESR1 (0.60) ESR1ESR2CA12CA1CA7
SCHEMBL4258952 1.00 ESR1 (0.60) ESR1ESR2CA12CA1CA7
SCHEMBL4257432 1.00 ESR1 (0.60) ESR1ESR2CA12CA1CA7
SCHEMBL4259416 0.99 ESR1 (0.58) ESR1ESR2CA12CA1CA7
SCHEMBL4259421 0.99 ESR1 (0.58) ESR1ESR2CA12CA1CA7
SCHEMBL4262522 0.89 ESR1 (0.48) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4262516 0.89 ESR1 (0.48) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4260682 0.88 ESR1 (0.46) ESR1ESR2CA12CA1CA7
SCHEMBL4260678 0.88 ESR1 (0.46) ESR1ESR2CA12CA1CA7
SCHEMBL4252385 0.87 ESR1 (0.46) ESR1ESR2CA12CA1CA7

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
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 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-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885CA12 2173/4885

“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.