SCHEMBL3629099

SCHEMBL3629099

CC(=O)C(=O)c1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 4/20 0.48
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
HTT P42858 1/20 0.46
MYC P01106 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 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
SCHEMBL29425530 0.87 HPGD (0.54) CES2CES1SMN1; SMN2HPGDERCC5
SCHEMBL166603 0.87 HPGD (0.54) CES2CES1SMN1; SMN2HPGDERCC5
Hydrochloric Acid SCHEMBL9391088 0.83 HPGD (0.50) CES2CES1SMN1; SMN2HPGDERCC5
SCHEMBL29089128 0.83 HPGD (0.50) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL4087542 0.82 SMN1; SMN2 (0.46) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL22416287 0.81 SMN1; SMN2 (0.42) CES2CES1SMN1; SMN2HPGDERCC5
SCHEMBL9711362 0.81 ERCC5 (0.57) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL166031 0.81 ERCC5 (0.57) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL112406 0.80 HPGD (0.57) SMN1; SMN2HPGDERCC5FEN1HTT
SCHEMBL29441418 0.80 HPGD (0.57) SMN1; SMN2HPGDERCC5FEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US disclosed
US-20100004179-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY GEORGETOWN UNIVERSITY 2010-01-07 US disclosed
CN-100566005-C The lithium secondary battery of nonaqueous electrolyte solution and this solution of use UBE INDUSTRIES (JP) 2009-12-02 CN disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 US disclosed
CN-101091283-A Nonaqueous electrolytic solution and lithium secondary battery using the same UBE INDUSTRIES (JP) 2007-12-19 CN disclosed
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
EP-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
EP-1480976-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-01 EP disclosed
US-6686381-B2 COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030225141-A1 THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003072577-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-04 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-20100004179-A1 TARGETING OF EWS-FLI1 AS ANTI-TUMOR THERAPY EWSR1, FLI1, PELI1 CES2 4721/4885CES1 3915/4885SMN1; SMN2 1922/4885
US-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 CES2 1301/4885CES1 137/4885SMN1; SMN2 2375/4885

“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.