SCHEMBL4575847

SCHEMBL4575847

N#Cc1ccc(-c2coc(C3CC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
HSD11B1 P28845 4/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NOTUM Q6P988 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MYC P01106 1/20 0.38
USP30 Q70CQ3 1/20 0.38
KDM1A O60341 1/20 0.38
PSD A5PKW4 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
CDC25C P30307 1/20 0.37
CHRM2 P08172 1/20 0.36

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
SCHEMBL4575792 0.79 RAB9A (0.45) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL19399205 0.78 HCRTR2 (0.48) HSD11B1GAAMAPTKDM4ENPC1
SCHEMBL4574780 0.75 S1PR1 (0.39) MAPTKDM4ES1PR1S1PR3
SCHEMBL10282407 0.73 TP53 (0.67) TP53THRBHSD11B1GAANOTUM
SCHEMBL4075710 0.73 TP53 (0.46) TP53THRBHSD11B1GAANOTUM
SCHEMBL29045675 0.73 LTA4H (0.51) TP53THRBHSD11B1GAANOTUM
SCHEMBL7934455 0.71 RET (0.37) NOTUMS1PR1S1PR3
SCHEMBL1004627 0.70 ENPP3 (0.57) TP53THRBKDM4ENOTUMMYC
SCHEMBL10282408 0.70 TP53 (0.43) TP53THRBHSD11B1GAANOTUM
SCHEMBL2581940 0.70 HSD11B1 (0.52) TP53THRBHSD11B1GAANOTUM

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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD TP53 1380/4885THRB 497/4885HSD11B1 30/4885

“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.