SCHEMBL4575168

SCHEMBL4575168

CC(C)(CNCc1ccc(C(F)(F)F)cc1)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
MTOR P42345 1/20 0.50
KIF11 P52732 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
SHBG P04278 1/20 0.43
KMT2A Q03164 2/20 0.42
ESRRG P62508 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SCN8A Q9UQD0 1/20 0.41
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40
KCNH2 Q12809 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL3455879 0.85 MTOR (0.59) ESR1ESR2MTORKIF11CYP3A4
SCHEMBL4575343 0.82 MEN1 (0.58) KMT2ALMNAHTTALDH1A1MEN1
SCHEMBL4575081 0.78 MTOR (0.56) MTORKIF11ALDH1A1SCN8ATMEM97
Hydrochloric Acid SCHEMBL5313712 0.76 SLC6A5 (0.55) MTORKIF11ALDH1A1SCN8ATMEM97
SCHEMBL1436108 0.75 PTPN1 (0.54) MTORCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6557440 0.73 FFAR1 (0.63) MTORKIF11KMT2AALDH1A1MEN1
SCHEMBL3391142 0.73 ALDH1A1 (0.45) MTORCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6428779 0.73 ESR1 (0.45) ESR1ESR2CYP3A4CYP2D6CYP2C9
SCHEMBL3964858 0.72 ALDH1A1 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL12305719 0.72 SHBG (0.59) ESR1ESR2CYP3A4CYP2C9SHBG

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 4 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
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 506/4885MTOR 2411/4885

“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.