SCHEMBL4575705

SCHEMBL4575705

COC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PPARA Q07869 4/20 0.43
PPARD Q03181 2/20 0.43
PPARG P37231 1/20 0.43
EPHX2 P34913 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
ADRB3 P13945 3/20 0.40
SLC6A5 Q9Y345 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4575528 0.91 PPARA (0.44) PTGDR2MEN1KMT2AKDM4EPPARA
SCHEMBL4576063 0.86 PPARA (0.50) MEN1KMT2AKDM4EPPARAPPARD
SCHEMBL4575333 0.78 PPARA (0.48) MEN1KMT2AKDM4EPPARAPPARD
SCHEMBL4575310 0.77 PPARA (0.50) MEN1KMT2APPARAPPARDPPARG
SCHEMBL4575716 0.76 PPARA (0.54) MEN1KMT2AKDM4EPPARAPPARD
SCHEMBL4575229 0.76 PPARA (0.61) PPARAPPARDPPARGADRB3ALDH1A1
SCHEMBL4576153 0.75 PPARG (0.66) MEN1KMT2AKDM4EPPARAPPARD
SCHEMBL21991233 0.74 TRPV1 (0.49) MEN1KMT2APPARAPPARDPPARG
SCHEMBL6407513 0.74 KDM4E (0.64) MEN1KMT2AKDM4EPPARAPPARD
SCHEMBL9071251 0.72 PPARA (0.46) MEN1KMT2AKDM4EPPARAPPARD

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 PTGDR2 332/4885MEN1 4576/4885KMT2A 4023/4885

“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.