SCHEMBL20089291

SCHEMBL20089291

CCC(O)COCC(O)COC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2609782 0.91 MAPK1 (0.56) MAPK1KDM4ETSHRALDH1A1TDP1
SCHEMBL14901102 0.91 MAPK1 (0.56) MAPK1KDM4ETSHRALDH1A1TDP1
SCHEMBL14901101 0.91 MAPK1 (0.56) MAPK1KDM4ETSHRALDH1A1TDP1
SCHEMBL1982314 0.83 MAPK1 (0.65) MAPK1KDM4ETSHRALDH1A1TDP1
SCHEMBL13492168 0.83 HSD17B10 (0.52) MAPK1KDM4EHSD17B10USP2TDP1
SCHEMBL325805 0.81 KDM4E (0.52) KDM4EHSD17B10TSHRUSP2TDP1
SCHEMBL13492153 0.79 CYP3A4 (0.46) MAPK1HSD17B10TSHRUSP2ALDH1A1
Water SCHEMBL27734809 0.78 KDM4E (0.50) KDM4EHSD17B10TSHRUSP2TDP1
SCHEMBL16001419 0.78 USP2 (0.52) MAPK1KDM4EHSD17B10TSHRUSP2
SCHEMBL13492154 0.78 USP2 (0.52) MAPK1KDM4EHSD17B10TSHRUSP2

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-20180111932-A1 NOVEL NAPHTHYRIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ARRHYTHMIA NOVARTIS AG (CH) 2018-04-26 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-20180111932-A1 NOVEL NAPHTHYRIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ARRHYTHMIA SCN1B, SCN3A, SCN5A MAPK1 1375/4885KDM4E 1689/4885HSD17B10 1475/4885

“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.