SCHEMBL1765510

SCHEMBL1765510

CCOC(=O)C(=O)C=C(O)c1cccc(OC)c1.[LiH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
PARP1 P09874 1/20 0.47
MAOB P27338 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
PTPN1 P18031 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
GPR52 Q9Y2T5 1/20 0.43
GAA P10253 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
SCHEMBL12596957 0.99 CES2 (0.50) CES2CES1ALDH1A1KDM4ENPC1
SCHEMBL2194952 0.85 ELANE (0.43) ALDH1A1KDM4EMAPTMAOBPTPN1
SCHEMBL1765066 0.85 ELANE (0.43) ALDH1A1KDM4EMAPTMAOBPTPN1
SCHEMBL1765505 0.84 MAOB (0.57) ALDH1A1MAOBPTPN1MEN1KMT2A
SCHEMBL13815650 0.84 ELANE (0.44) ALDH1A1KDM4EMAPTMAOBPTPN1
SCHEMBL12418108 0.84 ELANE (0.44) ALDH1A1KDM4EMAPTMAOBPTPN1
SCHEMBL31178164 0.83 ALDH1A1 (0.48) CES2CES1ALDH1A1KDM4ESMN1; SMN2
Lithium Ion SCHEMBL1765506 0.83 CES2 (0.48) CES2CES1ALDH1A1KDM4ENPC1
Lithium Ion SCHEMBL1765508 0.83 CES2 (0.48) CES2CES1ALDH1A1KDM4ENPC1
SCHEMBL1765468 0.83 LMNA (0.49) CES2CES1ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO CES2 771/4885CES1 746/4885ALDH1A1 898/4885

“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.