SCHEMBL4688947

SCHEMBL4688947

CCOC(=O)C(=O)CC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.49
USP5 P45974 1/20 0.49
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL1686217 0.84 ERCC5 (0.59) SMN1; SMN2POLBALDH1A1L3MBTL1LMNA
SCHEMBL10745284 0.84 USP5 (0.51) SMN1; SMN2POLBALDH1A1L3MBTL1USP5
SCHEMBL2911004 0.83 ALDH1A1 (0.58) SMN1; SMN2POLBALDH1A1L3MBTL1LMNA
SCHEMBL3936475 0.83 ALDH1A1 (0.52) SMN1; SMN2POLBALDH1A1LMNAMEN1
SCHEMBL9349345 0.83 ERCC5 (0.57) SMN1; SMN2POLBALDH1A1L3MBTL1LMNA
SCHEMBL12020298 0.82 ESR1 (0.58) SMN1; SMN2POLBALDH1A1KMT2ARAB9A
SCHEMBL9208969 0.82 ALDH1A1 (0.57) SMN1; SMN2POLBALDH1A1L3MBTL1LMNA
SCHEMBL25011313 0.81 ALDH1A1 (0.56) SMN1; SMN2POLBALDH1A1LMNAMEN1
SCHEMBL1694519 0.81 ALDH1A1 (0.56) SMN1; SMN2POLBALDH1A1LMNAMEN1
SCHEMBL2916273 0.81 ALDH1A1 (0.56) SMN1; SMN2POLBALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012093174-A1 1-(6-MEMBERED AZO-HETEROCYCLIC)-2,5-DIHYDRO-1H-PYRROL-2-ONE DERIVATIVES AS ANTI-HEPATITIS C VIRUS, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-07-12 WO disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG SMN1; SMN2 3739/4885POLB 1542/4885ALDH1A1 785/4885

“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.