SCHEMBL5943440

SCHEMBL5943440

CC/C=C\CC(=O)OCC(CNC(=O)c1ccc(C(F)(F)F)cc1OC(C)=O)OC(=O)C/C=C\CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SCN8A Q9UQD0 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
MCHR1 Q99705 2/20 0.32
BACE1 P56817 1/20 0.32
PPARA Q07869 7/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 5/20 0.32
ABCB1 P08183 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 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
SCHEMBL5941835 0.88 KDM4E (0.41) CYP2C19KDM4EUSP2ALDH1A1HPGD
SCHEMBL12451931 0.87 ABCB1 (0.33) KDM4EHPGDHSD17B10ABCB1
SCHEMBL5946898 0.84 HSD17B10 (0.43) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL5943431 0.82 ALDH1A1 (0.47) CYP2C19KDM4EUSP2ALDH1A1HPGD
SCHEMBL5943373 0.77 KLKB1 (0.33) KDM4EUSP2ALDH1A1HPGDHSD17B10
SCHEMBL12451738 0.75 NR1I2 (0.35) ALDH1A1HPGDHSD17B10
SCHEMBL5940761 0.73 KDM4E (0.61) CYP2C19KDM4EUSP2ALDH1A1HPGD
SCHEMBL5943405 0.73 KDM4E (0.45) CYP2C19KDM4EUSP2ALDH1A1HPGD
SCHEMBL5943453 0.73 CYP2C19 (0.57) CYP2C19KDM4EUSP2ALDH1A1HPGD
SCHEMBL5941827 0.72 CYP2C19 (0.45) CYP2C19KDM4EUSP2ALDH1A1HPGD

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-8173831-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2012-05-08 US disclosed
US-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2010-02-18 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-20100041748-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 CYP2C19 3252/4885KDM4E 2493/4885USP2 992/4885

“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.