SCHEMBL4520889

SCHEMBL4520889

COc1ccc(N2CCN(Cc3nc(-c4ccc(C(F)(F)F)cc4)sc3CCC(=O)c3ccc(O)c(C)c3)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 6/20 0.41
CETP P11597 1/20 0.40
POLB P06746 1/20 0.40
PPARG P37231 4/20 0.38
HTR7 P34969 1/20 0.37
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL4498481 0.92 POLB (0.44) MAPTPPARDPPARACETPPOLB
SCHEMBL4515600 0.92 CETP (0.46) MAPTPPARDPPARACETPPPARG
SCHEMBL4523286 0.91 CACNA1G (0.42) MAPTALDH1A1CETPPOLBKDM4E
SCHEMBL4507165 0.90 PPARD (0.56) MAPTPPARDPPARAPPARG
SCHEMBL4521400 0.90 CETP (0.44) MAPTPPARDPPARACETPPOLB
SCHEMBL4516284 0.90 HTR1A (0.44) MAPTALDH1A1POLBHTTKMT2A
SCHEMBL4501707 0.89 CETP (0.44) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4507824 0.88 PPARD (0.47) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4522410 0.88 PPARD (0.44) MAPTPPARDPPARACETPPOLB
SCHEMBL4523435 0.88 STAT3 (0.46) PPARDPPARAPPARGMEN1KMT2A

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-20090203908-A1 Activator for Peroxisome Proliferator-Activated Receptor NIPPON CHEMIPHAR CO., LTD. (JP) 2009-08-13 US disclosed
EP-1897872-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2008-03-12 EP 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-20090203908-A1 Activator for Peroxisome Proliferator-Activated Receptor PPARA, PPARG, PPARD MAPT 4841/4885ALDH1A1 1500/4885CYP1A2 1044/4885

“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.