SCHEMBL3818320

SCHEMBL3818320

CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OCCCC(=O)O)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR1 P03372 7/20 0.48
CYP19A1 P11511 3/20 0.48
TSHR P16473 1/20 0.47
PPARA Q07869 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR2 Q92731 3/20 0.46
POLB P06746 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL4666288 0.95 CNR2 (0.48) ESR1CYP19A1ESR2POLB
SCHEMBL3819030 0.92 ESR1 (0.49) MEN1KMT2AESR1CYP19A1TSHR
SCHEMBL3814114 0.91 ESR1 (0.52) MEN1KMT2AESR1TSHRPPARA
SCHEMBL3814029 0.88 TSHR (0.44) KMT2AESR1TSHRESR2THRA
SCHEMBL3817761 0.87 MEN1 (0.66) MEN1KMT2AESR1CYP19A1TSHR
SCHEMBL4667623 0.86 ESR1 (0.52) ESR1ESR2POLBTHRATHRB
SCHEMBL14075688 0.84 CYP19A1 (0.49) ESR1CYP19A1TSHRESR2
SCHEMBL3813207 0.84 CYP19A1 (0.57) MEN1KMT2AESR1CYP19A1ESR2
SCHEMBL14532137 0.83 ESR1 (0.45) ESR1CYP19A1ESR2POLB
SCHEMBL4665805 0.82 ESR1 (0.60) MEN1KMT2AESR1CYP19A1TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951217-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP claimed
EP-1951217-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP claimed
WO-2007062148-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO claimed
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
US-20080234199-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-25 US 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
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 MEN1 2060/4885KMT2A 1916/4885ESR1 3/4885

“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.