SCHEMBL4575291

SCHEMBL4575291

COc1ccc(CCCN(Cc2ccc(OC(F)(F)F)cc2)c2ccc(C(C)C)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 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
SCHEMBL4575472 0.91 CETP (0.37) ALDH1A1MEN1CYP3A4KMT2ACETP
SCHEMBL4575250 0.88 PPARA (0.48)
SCHEMBL4575151 0.87 ALDH1A1 (0.44) ALDH1A1MEN1TSHRKMT2A
SCHEMBL4575127 0.85 CETP (0.40) ALDH1A1OPRM1CETP
SCHEMBL4575605 0.83 PPARA (0.48) ALDH1A1
SCHEMBL4575888 0.81 PPARG (0.45) CETP
SCHEMBL4575379 0.81 PTGDR2 (0.44) ALDH1A1CETP
SCHEMBL4575418 0.81 PPARG (0.46) CETP
SCHEMBL4575304 0.81 PPARA (0.48)
SCHEMBL31256404 0.78 LMNA (0.47) LMNAALDH1A1MEN1CYP1A2CHRM2

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 LMNA 3670/4885ALDH1A1 645/4885MEN1 4576/4885

“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.