SCHEMBL4524332

SCHEMBL4524332

CCOC(=O)C(C)(C)Oc1ccc(C(=O)CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(c3ccccc3OC)CC2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
HTR1A P08908 4/20 0.40
PPARG P37231 1/20 0.40
TACR3 P29371 1/20 0.40
TACR1 P25103 2/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
AGTR1 P30556 1/20 0.37

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
SCHEMBL4503200 0.93 PPARD (0.51) PPARDPPARAHTR1APPARGTACR3
SCHEMBL4507824 0.91 PPARD (0.47) PPARDPPARAPPARGMAPTALDH1A1
SCHEMBL4520214 0.91 PPARD (0.52) PPARDPPARAPPARGMAPTKMT2A
SCHEMBL4514629 0.91 PPARD (0.44) PPARDPPARAPPARGMAPTALDH1A1
SCHEMBL4503622 0.91 PPARD (0.49) PPARDPPARAPPARGMAPTKMT2A
SCHEMBL4522297 0.90 PPARD (0.49) PPARDPPARAPPARGMAPTALDH1A1
SCHEMBL4500419 0.89 PPARD (0.50) PPARDPPARAPPARGMAPTKMT2A
SCHEMBL4513694 0.89 PPARD (0.45) PPARDPPARAPPARGMAPTKMT2A
SCHEMBL4515137 0.88 PPARD (0.48) PPARDPPARAPPARGMAPTKMT2A
SCHEMBL4516284 0.88 HTR1A (0.44) HTR1ATACR3TACR1MAPTALDH1A1

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 PPARD 3/4885PPARA 1/4885HTR1A 3048/4885

“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.