SCHEMBL1765313

SCHEMBL1765313

CCOC(=O)C(=O)C=C(O)c1cc(F)cc(OC)c1.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.38
CYP3A4 P08684 1/20 0.38
GRK6 P43250 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12596968 0.99 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL1765010 0.89 MAPT (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL12596939 0.88 MAPT (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14995832 0.86 MAPT (0.35) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL14995811 0.86 MAPT (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14995851 0.86 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL1764997 0.85 MAPT (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL15004204 0.85 MAPT (0.35) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL15004256 0.85 MAPT (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL16633083 0.84 SMN1; SMN2 (0.40) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD

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 ALDH1A1 898/4885MAPT 2876/4885KDM4E 1170/4885

“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.