SCHEMBL4575708

SCHEMBL4575708

CCCc1cc(CCN(Cc2ccc(OC(F)(F)F)cc2)c2ncc(CC)cn2)ccc1OCc1nn[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.36
CYP2C8 P10632 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
FFAR1 O14842 1/20 0.35
RXRA P19793 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 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
SCHEMBL4575566 0.89 KDM4E (0.38) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL4576287 0.83 PPARD (0.43) TRPM8
SCHEMBL4575546 0.79 NR1H2 (0.40) CYP2C9CYP1A2RXRATRPM8
SCHEMBL4575614 0.78 TRPM8 (0.37) KDM4EALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL4575276 0.77 PTGDR2 (0.43) KDM4EALDH1A1HPGDCYP2C9CYP2C19
Phenol SCHEMBL4574712 0.77 BCHE (0.39) MEN1KMT2AFFAR1RXRATRPM8
SCHEMBL4575608 0.75 LMNA (0.38) KDM4EALDH1A1CYP2C9CYP1A2SMN1; SMN2
SCHEMBL4575060 0.74 BCHE (0.43) MEN1KMT2AFFAR1RXRATRPM8
SCHEMBL14277918 0.73 NR1H2 (0.35) TRPM8
SCHEMBL4575015 0.73 PPARD (0.47) TRPM8

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 claimed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US claimed
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

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 KDM4E 4112/4885ALDH1A1 645/4885HPGD 59/4885

“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.