SCHEMBL4259406

SCHEMBL4259406

CCC(=Cc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.43
ESR2 Q92731 7/20 0.43
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
TBXAS1 P24557 2/20 0.38
PTGS2 P35354 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC16A3 O15427 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
SLC16A1 P53985 1/20 0.36
GPR35 Q9HC97 1/20 0.36
PGR P06401 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL4261792 0.87 ESR1 (0.42) ESR1ESR2EPHX2PPARGTBXAS1
SCHEMBL4264978 0.86 SNCA (0.37) ESR1ESR2EPHX2PPARGTBXAS1
SCHEMBL4255146 0.86 HSP90AA1 (0.37) ESR1ESR2EPHX2PPARGTBXAS1
SCHEMBL5993797 0.79 ALDH1A1 (0.53) ESR1ESR2EPHX2PPARGTBXAS1
SCHEMBL3128764 0.79 ALDH1A1 (0.53) ESR1ESR2EPHX2PPARGTBXAS1
SCHEMBL10349544 0.79 ALDH1A1 (0.53) ESR1ESR2EPHX2PPARGTBXAS1
SCHEMBL4259402 0.78 ESR1 (0.45) ESR1ESR2TBXAS1PTGS2ALDH1A1
Gsk-232802 SCHEMBL3467757 0.78 ESR1 (0.55) ESR1PPARGKDM4EALDH1A1PGR
SCHEMBL3467812 0.78 ESR1 (0.55) ESR1ESR2ALDH1A1CYP3A4PGR
SCHEMBL3467807 0.78 ESR1 (0.55) ESR1ESR2ALDH1A1CYP3A4PGR

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 2/4885EPHX2 1893/4885

“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.