SCHEMBL4693404

SCHEMBL4693404

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
LMNA P02545 5/20 0.55
ALDH1A1 P00352 3/20 0.55
ALOX15 P16050 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2131704 0.92 MAPT (0.65) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL1177177 0.85 RAB9A (0.72) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL7411741 0.84 KMT2A (0.53) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL7409439 0.81 SMN1; SMN2 (0.56) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL2451717 0.81 MAPT (0.54) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL7408157 0.81 KMT2A (0.50) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL2036338 0.81 KMT2A (0.54) MAPTNPC1RAB9AALDH1A1ALOX15
SCHEMBL31215065 0.80 MAPT (0.63) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL31215066 0.80 MAPT (0.63) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL1686313 0.80 MAPT (0.61) MAPTNPC1RAB9ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP 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
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US 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 MAPT 4679/4885NPC1 981/4885RAB9A 3248/4885

“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.