SCHEMBL4574780

SCHEMBL4574780

O=Cc1ccc(-c2coc(C3CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
HCRTR2 O43614 2/20 0.37
BRD4 O60885 1/20 0.36
ENPP3 O14638 2/20 0.33
ENPP1 P22413 1/20 0.33
TACR3 P29371 1/20 0.33
RET P07949 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
USP7 Q93009 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
SPR P35270 2/20 0.30
CYP2A6 P11509 1/20 0.30

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) S1PR1S1PR3HCRTR2ENPP3ENPP1
SCHEMBL19399205 0.78 HCRTR2 (0.48) S1PR1S1PR3HCRTR2ENPP3ENPP1
SCHEMBL4575847 0.75 TP53 (0.42) S1PR1S1PR3KDM4EMAPT
SCHEMBL4575776 0.75 USP7 (0.54) HCRTR2BRD4ENPP3ENPP1CA1
SCHEMBL7934455 0.74 RET (0.37) S1PR1S1PR3HCRTR2ENPP3ENPP1
SCHEMBL4575356 0.72 CA12 (0.61) BRD4CA1CA2CA12CA9
SCHEMBL14659014 0.71 FFAR1 (0.42) S1PR1S1PR3HCRTR2TACR3
SCHEMBL14277967 0.70 NPC1 (0.51) S1PR1S1PR3BRD4RET
SCHEMBL2387102 0.70 CA1 (0.60) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL21614046 0.70 KIF11 (0.41) BRD4ENPP3ENPP1ALDH1A1KDM4E

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 6 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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
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 S1PR1 1042/4885S1PR3 1081/4885HCRTR2 2519/4885

“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.