SCHEMBL2992785

SCHEMBL2992785

O=C(O)CCC(C(=O)OO)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
POLB P06746 4/20 0.73
KDM4E B2RXH2 1/20 0.73
TP53 P04637 1/20 0.73
GLA P06280 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
HPGD P15428 1/20 0.73
ALOX12 P18054 1/20 0.73
NFKB1 P19838 1/20 0.73
APEX1 P27695 1/20 0.73
MAPK1 P28482 1/20 0.73
HSD17B10 Q99714 1/20 0.73
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
HIF1A Q16665 1/20 0.45
HSD11B1 P28845 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.43
DNMT1 P26358 1/20 0.43

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
SCHEMBL2892514 0.90 ALDH1A1 (0.75) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL1757074 0.88 ALDH1A1 (0.56) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL13957715 0.87 ALDH1A1 (0.71) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL9899442 0.85 ALDH1A1 (0.55) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL29763164 0.84 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL14991107 0.84 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL411110 0.84 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL441970 0.84 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL7285516 0.84 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL411173 0.84 ALDH1A1 (1.00) ALDH1A1POLBKDM4ETP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275630-A1 COSMETIC COMPOSITION COMPRISING AN IMIDOPERCARBOXYLIC ACID DERIVATIVE AND A N-ACYLATED AMINO ACID ESTER L'OREAL (FR) 2009-11-05 US claimed
US-20100189675-A1 COSMETIC USE OF AN IMIDOPERCARBOXYLIC ACID DERIVATIVE AS DESQUAMATING AGENT L'OREAL (FR) 2010-07-29 US disclosed
EP-2157964-A1 COSMETIC USE OF AN IMIDOPERCARBOXYLIC ACID DERIVATIVE AS DESQUAMATING AGENT L'Oreal (FR) 2010-03-03 EP disclosed
US-20090275630-A1 COSMETIC COMPOSITION COMPRISING AN IMIDOPERCARBOXYLIC ACID DERIVATIVE AND A N-ACYLATED AMINO ACID ESTER L'OREAL (FR) 2009-11-05 US disclosed
WO-2009001296-A1 COSMETIC USE OF AN IMIDOPERCARBOXYLIC ACID DERIVATIVE AS DESQUAMATING AGENT L'OREAL (FR) 2008-12-31 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 (2 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-20100189675-A1 COSMETIC USE OF AN IMIDOPERCARBOXYLIC ACID DERIVATIVE AS DESQUAMATING AGENT NISCH, CUTA, DDC ALDH1A1 1251/4885POLB 2002/4885KDM4E 1623/4885
US-20090275630-A1 COSMETIC COMPOSITION COMPRISING AN IMIDOPERCARBOXYLIC ACID DERIVATIVE AND A N-ACYLATED AMINO ACID ESTER DDC, ALAD, AADAC ALDH1A1 407/4885POLB 3271/4885KDM4E 2132/4885

“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.