SCHEMBL4575276

SCHEMBL4575276

CCCc1cc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc(C)cn2)ccc1OCc1nn[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PDE10A Q9Y233 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SLC22A12 Q96S37 3/20 0.33
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4575469 0.83 PPARD (0.48) PPARGPPARDPPARA
SCHEMBL14277953 0.83 KDM4E (0.30) KDM4ESMN1; SMN2PPARD
SCHEMBL4575245 0.79 FFAR4 (0.37) KDM4EHSD17B10SMN1; SMN2
SCHEMBL4575708 0.77 KDM4E (0.39) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4574841 0.72 NR1H2 (0.39) KDM4ESMN1; SMN2
SCHEMBL4575566 0.71 KDM4E (0.38) PTGDR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4575407 0.70 FFAR4 (0.33) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4575335 0.65 PPARA (0.52) PPARGPPARDPPARA
SCHEMBL11561974 0.63 HCAR3 (0.45) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL11566506 0.61 GBA1 (0.45) CYP2C19AGTR1AGTR2

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 2 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

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 332/4885KDM4E 4112/4885ALDH1A1 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.