SCHEMBL4252809

SCHEMBL4252809

CC(=O)Oc1cc(/C=C/c2ccc(OC(=O)CCCCC3CCSS3)cc2)cc(OC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ TTR P02766 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CYP19A1 P11511 1/20 0.45
▸ BCHE P06276 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TARDBP Q13148 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL4252813 1.00 KMT2A (0.53) KMT2AMEN1LMNAKDM4ETTR
SCHEMBL16192774 0.88 BCHE (0.41) KMT2AMEN1LMNAKDM4ETTR
SCHEMBL16192772 0.88 BCHE (0.41) KMT2AMEN1LMNAKDM4ETTR
SCHEMBL16870853 0.88 KMT2A (0.45) KMT2AMEN1LMNABCHEHSD17B10
SCHEMBL16870908 0.85 HTR1A (0.38) KMT2AMEN1LMNAKDM4ETTR
SCHEMBL4259851 0.80 MEN1 (0.45) KMT2AMEN1LMNAKDM4ETTR
SCHEMBL28462778 0.78 KMT2A (0.82) KMT2AMEN1LMNAKDM4ETTR
SCHEMBL13143427 0.77 PTPRF (0.52) KMT2AMEN1LMNABCHEHSD17B10
SCHEMBL9906234 0.76 KMT2A (0.46) KMT2AMEN1LMNATP53MAPT
SCHEMBL15247764 0.76 HSD17B10 (0.51) KMT2AMEN1LMNABCHEHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067908-B2 Polyphenolic bioprecursors RHODIA CHIMIE (FR) 2015-06-30 — — US claimed
EP-1893555-B1 POLYPHENOL-BASED BIOPRECURSOR RHODIA CHIMIE SA (FR) 2014-10-29 — — EP claimed
US-20090215881-A1 Polyphenolic Bioprecursors CHIMIE, Rhodia Chime (FR) 2009-08-27 — — US claimed
EP-1893555-A1 POLYPHENOL-BASED BIOPRECURSOR RHODIA CHIMIE (FR) 2008-03-05 — — EP claimed
WO-2006134282-A1 POLYPHENOL-BASED BIOPRECURSOR RHODIA CHIMIE (FR) 2006-12-21 — — WO claimed
US-9067908-B2 Polyphenolic bioprecursors RHODIA CHIMIE (FR) 2015-06-30 — — US disclosed
US-20090215881-A1 Polyphenolic Bioprecursors CHIMIE, Rhodia Chime (FR) 2009-08-27 — — US 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-20090215881-A1 Polyphenolic Bioprecursors PPARG, PPARA, FABP4 KMT2A 2120/4885MEN1 4026/4885LMNA 3029/4885

“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.

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