SCHEMBL1764897

SCHEMBL1764897

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
GAA P10253 2/20 0.47
PTPN1 P18031 1/20 0.46
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ELANE P08246 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KYAT1 Q16773 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
XPO1 O14980 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL12596938 0.99 MAPT (0.48) MAPTGAAPTPN1LMNASMN1; SMN2
SCHEMBL12596917 0.85 LMNA (0.45) MAPTGAALMNASMN1; SMN2ELANE
SCHEMBL31178164 0.85 ALDH1A1 (0.48) MAPTPTPN1SMN1; SMN2TDP1ALDH1A1
SCHEMBL1765468 0.84 LMNA (0.49) MAPTPTPN1LMNASMN1; SMN2TDP1
SCHEMBL23052239 0.83 CYP19A1 (0.49) MAPTPTPN1LMNAL3MBTL1ELANE
SCHEMBL17163920 0.83 ALDH1A1 (0.53) MAPTGAASMN1; SMN2TDP1ALDH1A1
Lithium Ion SCHEMBL1764894 0.83 MAPT (0.46) MAPTGAALMNASMN1; SMN2TDP1
SCHEMBL1765510 0.83 CES2 (0.49) MAPTGAAPTPN1SMN1; SMN2ALDH1A1
Lithium Ion SCHEMBL1764896 0.83 MAPT (0.46) MAPTGAALMNASMN1; SMN2TDP1
SCHEMBL16111357 0.82 CA12 (0.56) MAPTGAAPTPN1LMNASMN1; SMN2

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 4 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
EP-2254885-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AiCuris GmbH & Co. KG (DE) 2010-12-01 EP disclosed
WO-2009115213-A1 (PYRAZOLYL CARBONYL)IMIDAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2009-09-24 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO MAPT 2876/4885GAA 191/4885PTPN1 2140/4885

“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.