SCHEMBL3812915

SCHEMBL3812915

CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OCC(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.92
CYP19A1 P11511 10/20 0.92
ESR2 Q92731 8/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2A6 P11509 2/20 0.63
CYP3A5 P20815 2/20 0.63
CYP2D6 P10635 1/20 0.63

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
SCHEMBL6767349 0.96 ESR1 (1.00) ESR1CYP19A1ESR2CYP1A2CYP3A4
SCHEMBL6769196 0.96 ESR1 (1.00) ESR1CYP19A1ESR2CYP1A2CYP3A4
SCHEMBL639683 0.96 ESR1 (1.00) ESR1CYP19A1ESR2CYP1A2CYP3A4
SCHEMBL9451174 0.90 ESR1 (0.89) ESR1CYP19A1ESR2CYP1A2CYP3A4
SCHEMBL9451178 0.90 ESR1 (0.89) ESR1CYP19A1ESR2CYP1A2CYP3A4
SCHEMBL9556679 0.90 ESR1 (0.89) ESR1CYP19A1ESR2CYP1A2CYP3A4
SCHEMBL3810919 0.89 ESR1 (0.74) ESR1CYP19A1ESR2CYP1A2CYP3A4
SCHEMBL3810883 0.88 ESR1 (0.73) ESR1CYP19A1ESR2CYP1A2CYP3A4
SCHEMBL3817110 0.87 CYP19A1 (0.90) ESR1CYP19A1ESR2CYP1A2CYP3A4
SCHEMBL3827799 0.86 ESR1 (0.70) ESR1CYP19A1ESR2

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
EP-1951217-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP disclosed
US-20080234199-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
EP-1951217-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062148-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20080234199-A1 Chemical Compounds GPER1, ESR2, ESR1 ESR1 3/4885CYP19A1 7/4885ESR2 2/4885

“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.