SCHEMBL16865332

SCHEMBL16865332

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
TRPA1 O75762 1/20 0.41
SPHK1 Q9NYA1 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
CACNA1B Q00975 1/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
KLK5 Q9Y337 2/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
LMNA P02545 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
SCHEMBL16865351 1.00 PPARA (0.43) PPARAPPARGTRPA1SPHK1NFKB1
SCHEMBL16865382 1.00 PPARA (0.43) PPARAPPARGTRPA1SPHK1NFKB1
SCHEMBL16865379 0.89 SPHK1 (0.42) PPARAPPARGSPHK1SPHK2ALDH1A1
SCHEMBL16865349 0.89 SPHK1 (0.42) PPARAPPARGSPHK1SPHK2ALDH1A1
SCHEMBL16865381 0.89 SPHK1 (0.42) PPARAPPARGSPHK1SPHK2ALDH1A1
SCHEMBL16865380 0.88 KLK5 (0.46) PPARAPPARGSPHK1MAPTKLK5
SCHEMBL16865378 0.88 KLK5 (0.46) PPARAPPARGSPHK1MAPTKLK5
SCHEMBL16865383 0.84 PPARG (0.46) PPARAPPARGSPHK1ALDH1A1MAPT
SCHEMBL20651355 0.82 SPHK1 (0.65) PPARAPPARGTRPA1SPHK1SPHK2
SCHEMBL15259087 0.82 SPHK1 (0.65) PPARAPPARGTRPA1SPHK1SPHK2

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 PPARA 191/4885PPARG 354/4885TRPA1 3908/4885

“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.