SCHEMBL16623994

SCHEMBL16623994

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
THRB P10828 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1820204 1.00 KDM4E (0.42) KDM4EALDH1A1HSD17B10CYP2C19USP2
SCHEMBL1820208 1.00 KDM4E (0.42) KDM4EALDH1A1HSD17B10CYP2C19USP2
SCHEMBL5942132 0.90 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10CYP2C19USP2
SCHEMBL5941832 0.88 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10CYP2C19USP2
SCHEMBL13540503 0.88 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10CYP2C19USP2
SCHEMBL5943405 0.87 KDM4E (0.45) KDM4EALDH1A1HSD17B10CYP2C19USP2
SCHEMBL12451758 0.85 ADORA3 (0.46) KDM4EALDH1A1HSD17B10HPGDNR1I2
SCHEMBL5941847 0.85 CNR1 (0.41) KDM4EALDH1A1HSD17B10CYP2C19USP2
SCHEMBL1820408 0.85 MAPT (0.40) KDM4EALDH1A1HSD17B10CYP2C19USP2
SCHEMBL1820409 0.85 MAPT (0.40) KDM4EALDH1A1HSD17B10CYP2C19USP2

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-9458094-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-9458094-B2 Fatty acid acetylated salicylates and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-20150099723-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2015-04-09 US disclosed
US-20150099723-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2015-04-09 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-20150099723-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 KDM4E 2493/4885ALDH1A1 285/4885HSD17B10 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.