SCHEMBL23485995

SCHEMBL23485995

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(O)Nc1ccc(O)c(C(=O)OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ EGFR P00533 6/20 0.47
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA7 P43166 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA14 Q9ULX7 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ ALOX12 P18054 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL23485994 0.86 KDM4C (0.43) KMT2AEGFRALOX12HSD17B10KDM4E
SCHEMBL5941247 0.80 KMT2A (0.62) KMT2AEGFRCA12CA1CA2
SCHEMBL1824277 0.70 CNR1 (0.54) KMT2AEGFRCA12CA1CA2
SCHEMBL5943469 0.70 CNR1 (0.54) KMT2AEGFRCA12CA1CA2
SCHEMBL12454046 0.70 KMT2A (0.48) KMT2ANR1I2PGRADORA3PTGS2
SCHEMBL19294155 0.69 ALDH1A1 (0.40) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL25685182 0.69 CNR1 (0.55) KMT2AHPGDALDH1A1CYP3A4ALOX15
SCHEMBL10334067 0.69 KMT2A (0.71) KMT2AEGFRCA12CA1CA2
SCHEMBL1977674 0.69 KMT2A (0.71) KMT2AEGFRCA12CA1CA2
SCHEMBL11202032 0.69 KMT2A (0.66) KMT2AEGFRCA12CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2021-06-10 — — 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-20210169905-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 KMT2A 1744/4885EGFR 3554/4885CA12 2688/4885

“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.

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