SCHEMBL5943433

SCHEMBL5943433

CCC/C=C\CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 3/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MGLL Q99685 1/20 0.39
PRKCA P17252 1/20 0.38
PRKCD Q05655 1/20 0.38
CYP2C9 P11712 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL12451936 0.86 L3MBTL1 (0.44) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL5943428 0.84 KDM4E (0.59) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL5943405 0.79 KDM4E (0.45) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL5940761 0.75 KDM4E (0.61) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL20830733 0.75 PRKCA (0.53) ALDH1A1HPGDTSHRCYP3A4TDP1
SCHEMBL24874063 0.72 TDP1 (0.51) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL5943427 0.72 TDP1 (0.61) ALDH1A1TSHRTDP1L3MBTL1MGLL
SCHEMBL16623994 0.71 KDM4E (0.42) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL1820204 0.71 KDM4E (0.42) ALDH1A1CYP2C19KDM4EUSP2HPGD
SCHEMBL1820208 0.71 KDM4E (0.42) ALDH1A1CYP2C19KDM4EUSP2HPGD

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 285/4885CYP2C19 3252/4885KDM4E 2493/4885

“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.