SCHEMBL4575816

SCHEMBL4575816

O=C(COC(=O)C1CC1)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
MDM2 Q00987 1/20 0.56
HPGD P15428 1/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GSK3B P49841 2/20 0.47
RECQL P46063 1/20 0.46
ATM Q13315 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL15746272 0.94 ALDH1A1 (0.64) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL17212624 0.92 ALDH1A1 (0.63) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL18501413 0.87 NPC1 (0.50) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL17212625 0.87 NPC1 (0.50) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL17212614 0.87 ALDH1A1 (0.51) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL3316537 0.85 NPC1 (0.52) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL3278893 0.85 NPC1 (0.52) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL18501438 0.85 MAPT (0.51) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL15395895 0.83 NPC1 (0.46) NPC1RAB9AALDH1A1TSHRMDM2
SCHEMBL3280139 0.83 MAPT (0.49) NPC1RAB9AALDH1A1TSHRMDM2

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 NPC1 400/4885RAB9A 1733/4885ALDH1A1 645/4885

“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.