SCHEMBL3815052

SCHEMBL3815052

CCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OCCCC(=O)OCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.59
ESR2 Q92731 3/20 0.59
CYP19A1 P11511 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.52
PTGS2 P35354 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP3A5 P20815 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
ESRRG P62508 7/20 0.49
ESRRB O95718 2/20 0.49
BRD4 O60885 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3817202 0.94 ESR1 (0.60) ESR1ESR2CYP19A1MAPTCYP1A2
SCHEMBL3817073 0.90 ESR1 (0.62) ESR1ESR2CYP19A1MAPTCYP1A2
SCHEMBL3813657 0.86 ESR1 (0.64) ESR1ESR2CYP19A1PTGS2CYP1A2
SCHEMBL3466988 0.84 CYSLTR2 (0.59) MAPTBRD4SMN1; SMN2
SCHEMBL3809275 0.82 ESR1 (0.69) ESR1ESR2CYP19A1PTGS2CYP1A2
SCHEMBL4665843 0.82 ESR1 (0.53) ESR1ESR2CYP19A1BRD4
SCHEMBL3810848 0.81 ESR1 (0.68) ESR1ESR2CYP19A1ESRRGESRRB
SCHEMBL3829470 0.81 L3MBTL1 (0.68) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3827799 0.80 ESR1 (0.70) ESR1ESR2CYP19A1PTGS2ESRRG
SCHEMBL3810879 0.80 ESR1 (0.67) ESR1ESR2CYP19A1CYP1A2CYP3A4

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 3/4885ESR2 2/4885CYP19A1 7/4885

“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.