SCHEMBL4667963

SCHEMBL4667963

CCCCC(=O)c1cccc(OCCOCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.59
THRA P10827 1/20 0.59
KMT2A Q03164 3/20 0.51
SMPD1 P17405 3/20 0.51
PLA2G4B P0C869 2/20 0.48
MEN1 O00255 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
NR1H4 Q96RI1 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4667503 0.92 THRB (0.55) THRBTHRAKMT2ASMPD1PLA2G4B
SCHEMBL4666439 0.87 KMT2A (0.52) THRBTHRAKMT2ASMPD1PLA2G4B
SCHEMBL3813078 0.84 L3MBTL1 (0.66) THRBTHRAKMT2AMEN1USP2
SCHEMBL27586299 0.82 THRA (0.78) THRBTHRAKMT2ASMPD1PLA2G4B
SCHEMBL5270021 0.80 THRB (0.63) THRBTHRAKMT2ASMPD1PLA2G4B
SCHEMBL4665803 0.80 THRB (0.53) THRBTHRAKMT2ASMPD1PLA2G4B
SCHEMBL11138896 0.79 MEN1 (0.63) THRBTHRAKMT2AMEN1USP2
SCHEMBL21169114 0.79 L3MBTL1 (0.60) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL18105960 0.79 L3MBTL1 (0.60) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL4667532 0.79 ESR1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-10-16 US disclosed
EP-1951216-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062145-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-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG THRB 54/4885THRA 62/4885KMT2A 1969/4885

“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.