SCHEMBL5943431

SCHEMBL5943431

CC/C=C\CC(=O)OCCCNC(=O)c1ccc(C(F)(F)F)cc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 4/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MCHR1 Q99705 2/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPSE Q9Y251 1/20 0.37
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13251533 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10USP2HPGD
SCHEMBL15743619 0.87 HPSE (0.42) ALDH1A1KDM4EHSD17B10HPGDNPC1
SCHEMBL12451929 0.86 L3MBTL1 (0.40) ALDH1A1KDM4EHSD17B10NPC1RAB9A
SCHEMBL5943326 0.83 HPSE (0.50) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL5943440 0.82 CYP2C19 (0.44) ALDH1A1KDM4EHSD17B10USP2HPGD
SCHEMBL5943436 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10USP2HPGD
SCHEMBL5942041 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10USP2HPGD
SCHEMBL5941932 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10USP2HPGD
SCHEMBL13251537 0.76 CYP2C19 (0.42) ALDH1A1KDM4EHSD17B10USP2HPGD
SCHEMBL16190215 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10USP2HPGD

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 ALDH1A1 285/4885KDM4E 2493/4885HSD17B10 120/4885

“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.