SCHEMBL5943428

SCHEMBL5943428

CCC/C=C\CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
CYP2C19 P33261 3/20 0.59
HSD17B10 Q99714 2/20 0.59
USP2 O75604 1/20 0.59
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.39
MRGPRX4 Q96LA9 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
PLK1 P53350 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL5940761 0.90 KDM4E (0.61) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL5943433 0.84 ALDH1A1 (0.41) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL12451935 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL19294163 0.82 KDM4E (0.71) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL5941832 0.81 ALDH1A1 (0.56) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL5941812 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL5943405 0.78 KDM4E (0.45) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL25527364 0.77 ALDH1A1 (0.67) KDM4EALDH1A1HPGDCYP2C19HSD17B10
SCHEMBL5942150 0.76 ALDH1A1 (0.50) KDM4EALDH1A1HPGDCYP2C19HSD17B10
Triflusal SCHEMBL29435449 0.75 KDM4E (1.00) KDM4EALDH1A1HPGDCYP2C19HSD17B10

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 KDM4E 2493/4885ALDH1A1 285/4885HPGD 510/4885

“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.