SCHEMBL16865383

SCHEMBL16865383

CC(C)(C)OC(=O)NC(CO)C(O)/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
PTGS2 P35354 2/20 0.41
CYP3A4 P08684 2/20 0.41
MARS2 Q96GW9 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
APEX1 P27695 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL16865381 0.85 SPHK1 (0.42) PPARGPPARAALDH1A1LMNACYP3A4
SCHEMBL16865349 0.85 SPHK1 (0.42) PPARGPPARAALDH1A1LMNACYP3A4
SCHEMBL16865379 0.85 SPHK1 (0.42) PPARGPPARAALDH1A1LMNACYP3A4
SCHEMBL16865332 0.84 PPARA (0.43) PPARGPPARAALDH1A1LMNAPTGS2
SCHEMBL16865351 0.84 PPARA (0.43) PPARGPPARAALDH1A1LMNAPTGS2
SCHEMBL16865382 0.84 PPARA (0.43) PPARGPPARAALDH1A1LMNAPTGS2
SCHEMBL16865380 0.84 KLK5 (0.46) PPARGPPARAMAPTSPHK1
SCHEMBL16865378 0.84 KLK5 (0.46) PPARGPPARAMAPTSPHK1
SCHEMBL30630114 0.81 CYP3A4 (0.64) PPARGPPARAALDH1A1LMNASMN1; SMN2
SCHEMBL14746287 0.79 GRIK1 (0.45) PPARGPPARAALDH1A1LMNASMN1; SMN2

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 4 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-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
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 PPARG 354/4885PPARA 191/4885ALDH1A1 506/4885

“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.