SCHEMBL1035701

SCHEMBL1035701

CCCc1c(CCC(=O)c2cc(C)c(OCC(=O)OCC)cc2O)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
ABCB1 P08183 1/20 0.39
PPARD Q03181 7/20 0.38
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
HMGCR P04035 1/20 0.38
F9 P00740 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33
IDH1 O75874 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL1031655 0.92 PPARD (0.43) PPARDPPARGPPARAFFAR4
SCHEMBL1081800 0.91 ESR1 (0.40) ESR1ABCB1PPARDPPARGPPARA
SCHEMBL1034628 0.85 ALDH1A1 (0.37) ESR1PPARGPPARAFFAR4HPGD
SCHEMBL1035148 0.83 PPARD (0.41) PPARDPPARGPPARAFFAR4
SCHEMBL1035702 0.78 IDH1 (0.36) ESR1IDH1KDM4EHSD17B10MEN1
SCHEMBL1034041 0.77 ESR1 (0.43) ESR1ABCB1PPARDPPARGPPARA
SCHEMBL1031595 0.75 ESR1 (0.40) ESR1ABCB1PPARDPPARGPPARA
SCHEMBL4655132 0.75 ALDH1A1 (0.37) PPARGCASP7HPGDKDM4EALDH1A1
SCHEMBL1031656 0.74 MAPT (0.36) ESR1PPARDPPARGPPARAMAPT
SCHEMBL14016243 0.73 PPARD (0.42) ESR1PPARDPPARGPPARA

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 ESR1 240/4885ABCB1 3776/4885PPARD 3/4885

“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.