SCHEMBL4258955

SCHEMBL4258955

CC(C)(C)C(=Cc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.50
ESR2 Q92731 8/20 0.50
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTGS2 P35354 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.36
CISD1 Q9NZ45 1/20 0.35
SLC16A3 O15427 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
SLC16A1 P53985 1/20 0.35
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL4257439 1.00 ESR1 (0.50) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4259426 0.99 ESR1 (0.48) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4262523 0.88 ESR1 (0.40) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4260688 0.88 ESR1 (0.38) ESR1ESR2PTGS2ALDH1A1MEN1
SCHEMBL4252393 0.86 ESR1 (0.38) ESR1ESR2PTGS2ALDH1A1MEN1
SCHEMBL4258864 0.85 ESR1 (0.40) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4257511 0.85 ESR1 (0.40) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4254777 0.85 SNCA (0.39) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL4253225 0.84 ESR1 (0.41) ESR1ESR2PGRCHRM2ADORA3
SCHEMBL3467636 0.83 ESR1 (0.53) ESR1ESR2PGRCHRM2ADORA3

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 2 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

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 2/4885PGR 10/4885

“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.