SCHEMBL4575864

SCHEMBL4575864

CCOC(=O)C(C)(C)Oc1ccc(CCNc2ccc(Br)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.47
TSHR P16473 2/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR2A P28223 1/20 0.47
PMP22 Q01453 1/20 0.47
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
PPARD Q03181 2/20 0.41
FBP1 P09467 2/20 0.40
HDAC1 Q13547 1/20 0.40
PPARG P37231 1/20 0.40
LTC4S Q16873 1/20 0.39
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL4575358 0.80 PPARA (0.50) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL1550142 0.77 PPARA (0.61) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL1154731 0.76 PPARA (0.71) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL11711290 0.75 PPARA (0.56) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3692925 0.75 PPARA (0.58) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL11360795 0.75 PPARA (0.58) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL1349983 0.74 PPARA (0.64) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3288292 0.74 PPARA (0.57) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL4574809 0.73 PPARA (0.41) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL3341525 0.73 PPARA (0.68) PPARATSHRABCB11CYP1A2CYP3A4

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 PPARA 2/4885TSHR 1136/4885ABCB11 358/4885

“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.