SCHEMBL1035702

SCHEMBL1035702

CCCc1c(CCC(=O)c2ccc(OC(C)C(=O)OCC)cc2O)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.36
ALDH2 P05091 1/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
ESR1 P03372 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL1031656 0.92 MAPT (0.36) MAPTL3MBTL1HTTHSD17B1HSD17B2
SCHEMBL1640080 0.91 IDH1 (0.35) IDH1ALDH2MAPTL3MBTL1HTT
SCHEMBL1077600 0.82 MAPT (0.34) MAPTL3MBTL1HTTHSD17B1HSD17B2
SCHEMBL1034628 0.81 ALDH1A1 (0.37) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL1034043 0.79 IDH1 (0.41) IDH1ALDH2MAPTL3MBTL1KMT2A
SCHEMBL1035701 0.78 ESR1 (0.42) IDH1MAPTKMT2AMEN1HSD17B10
SCHEMBL1031655 0.76 PPARD (0.43)
SCHEMBL1034265 0.74 IDH1 (0.43) IDH1ALDH2MAPTL3MBTL1KMT2A
SCHEMBL4655132 0.71 ALDH1A1 (0.37) MAPTL3MBTL1KMT2AMEN1LMNA
SCHEMBL1081800 0.71 ESR1 (0.40) IDH1HSD17B1HSD17B2ESR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424917-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2019-01-09 EP disclosed
EP-2277874-B1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO (JP) 2018-06-27 EP disclosed
US-8648208-B2 Activating agent for peroxisome proliferator activated receptor NIPPON CHEMIPHAR CO. LTD. (JP) 2014-02-11 US disclosed
US-20110098480-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO. LTD. (JP) 2011-04-28 US disclosed
EP-2277874-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2011-01-26 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-20110098480-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR PPARA, PPARG, PPARD IDH1 471/4885ALDH2 630/4885MAPT 4843/4885

“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.