SCHEMBL16865340

SCHEMBL16865340

CN(C(=O)OC(C)(C)C)C(CO)[C@H](O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.38
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
PTGS2 P35354 1/20 0.34
MT-CO2 P00403 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CYP1A2 P05177 1/20 0.33
UTS2R Q9UKP6 2/20 0.32
MAOB P27338 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL16865331 1.00 PPARA (0.38) PPARALMNAHTTNPC1ALDH1A1
SCHEMBL16865339 0.89 PPARA (0.37) PPARANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL17072195 0.84 NFKB1 (0.39) PPARANPC1ALDH1A1MAPTRAB9A
SCHEMBL17072193 0.84 NFKB1 (0.39) PPARANPC1ALDH1A1MAPTRAB9A
SCHEMBL17072194 0.84 NFKB1 (0.39) PPARANPC1ALDH1A1MAPTRAB9A
SCHEMBL16865363 0.81 MAPT (0.37) PPARALMNAHTTNPC1ALDH1A1
SCHEMBL16865337 0.81 MAPT (0.37) PPARALMNAHTTNPC1ALDH1A1
SCHEMBL16865342 0.81 MAPT (0.37) PPARALMNAHTTNPC1ALDH1A1
SCHEMBL16865332 0.75 PPARA (0.43) PPARALMNAALDH1A1MAPTNOS3
SCHEMBL16865351 0.75 PPARA (0.43) PPARALMNAALDH1A1MAPTNOS3

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-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN PPARA 191/4885LMNA 1365/4885HTT 2867/4885

“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.