SCHEMBL4668902

SCHEMBL4668902

CCC(=O)c1ccc(OC)c(OCC(=O)O)c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.89
KMT2A Q03164 1/20 0.89
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
POLB P06746 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MAPT P10636 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TSHR P16473 2/20 0.54
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CA12 O43570 1/20 0.51

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
SCHEMBL15202688 0.86 MAPK1 (0.67) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL29578705 0.85 MEN1 (0.73) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL515746 0.85 MEN1 (0.73) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL19441521 0.83 MEN1 (0.71) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL3817791 0.82 MEN1 (0.79) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL8843713 0.81 SMN1; SMN2 (0.90) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL8263100 0.81 MEN1 (0.59) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL8556804 0.81 MEN1 (0.76) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL7358969 0.80 KMT2A (0.67) MEN1KMT2ASMN1; SMN2HPGDNPC1
SCHEMBL4665805 0.80 ESR1 (0.60) MEN1KMT2ASMN1; SMN2POLBTSHR

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 MEN1 3392/4885KMT2A 1969/4885SMN1; SMN2 4741/4885

“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.