SCHEMBL4575792

SCHEMBL4575792

Brc1ccc(-c2coc(C3CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 4/20 0.41
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
HCRTR2 O43614 1/20 0.37
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
SMN1; SMN2 Q16637 7/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
GAA P10253 3/20 0.36
POLB P06746 1/20 0.35
RET P07949 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL19399205 0.82 HCRTR2 (0.48) RAB9ANPC1L3MBTL1ALDH1A1S1PR1
SCHEMBL4574780 0.79 S1PR1 (0.39) ALDH1A1S1PR1S1PR3HCRTR2ENPP3
SCHEMBL4575847 0.79 TP53 (0.42) RAB9ANPC1S1PR1S1PR3KDM4E
SCHEMBL7934455 0.74 RET (0.37) S1PR1S1PR3HCRTR2ENPP3ENPP1
SCHEMBL4575757 0.72 USP7 (0.57) RAB9ANPC1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL29988625 0.72 VCP (0.46) RAB9ANPC1S1PR1S1PR3HCRTR2
SCHEMBL14659014 0.71 FFAR1 (0.42) S1PR1S1PR3HCRTR2
SCHEMBL21834023 0.71 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1HCRTR2KDM4E
SCHEMBL29373040 0.71 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1HCRTR2KDM4E
SCHEMBL7454674 0.71 ENPP3 (0.40) RAB9ANPC1ALDH1A1ENPP3ENPP1

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 RAB9A 1733/4885NPC1 400/4885L3MBTL1 4482/4885

“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.