SCHEMBL4575413

SCHEMBL4575413

CCc1cnc(N(CCc2ccc(O)c(C)c2)Cc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.37
ESR2 Q92731 7/20 0.37
FFAR4 Q5NUL3 1/20 0.37
AR P10275 3/20 0.35
MAOB P27338 1/20 0.34
CETP P11597 2/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
PDE2A O00408 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL4575648 0.90 ESR1 (0.41) ESR1ESR2ARKDM4ELMNA
SCHEMBL4575352 0.89 CYP19A1 (0.34) MAOBCETPNR1H2NR1H3PDE2A
SCHEMBL4575226 0.88 CYP19A1 (0.33) MAOBCETPNR1H2NR1H3PDE2A
SCHEMBL4575994 0.88 CETP (0.36) ESR1ESR2CETPNR1H2NR1H3
SCHEMBL4575880 0.85 NR1H2 (0.42) ESR1ESR2MAOBNR1H2NR1H3
SCHEMBL4575701 0.83 PPARD (0.53) FFAR4
SCHEMBL4574842 0.81 PPARD (0.49)
SCHEMBL4575412 0.80 PPARD (0.46) FFAR4
SCHEMBL4575451 0.78 PRMT6 (0.36) ARCETPNR1H2NR1H3LMNA
SCHEMBL4575357 0.78 CYP19A1 (0.37) ESR1ESR2KDM4ELMNAGAA

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 ESR1 714/4885ESR2 506/4885FFAR4 42/4885

“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.