SCHEMBL4575245

SCHEMBL4575245

CCCc1cc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(C)cn2)ccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.35
MCHR1 Q99705 4/20 0.34
NR1H2 P55055 4/20 0.33
NR1H3 Q13133 4/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD2 P14416 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL4575407 0.88 FFAR4 (0.33) FFAR4KDM4ELMNAGAAHTT
SCHEMBL4575469 0.86 PPARD (0.48)
SCHEMBL4574841 0.83 NR1H2 (0.39) KDM4ELMNAGAAHTTSMN1; SMN2
SCHEMBL4575276 0.79 PTGDR2 (0.43) KDM4ESMN1; SMN2HSD17B10
SCHEMBL14277953 0.79 KDM4E (0.30) KDM4ELMNAGAAHTTSMN1; SMN2
SCHEMBL4575335 0.73 PPARA (0.52)
SCHEMBL4575413 0.71 ESR1 (0.37) FFAR4KDM4ELMNAGAAHTT
SCHEMBL4575226 0.71 CYP19A1 (0.33) KDM4ELMNAGAAHTTSMN1; SMN2
SCHEMBL4575546 0.71 NR1H2 (0.40) LMNAGAAALOX5NR1H2NR1H3
SCHEMBL11561974 0.70 HCAR3 (0.45) KDM4ELMNASMN1; SMN2NPSR1CYP3A4

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 FFAR4 42/4885KDM4E 4112/4885LMNA 3670/4885

“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.