SCHEMBL18769692

SCHEMBL18769692

C=C(C)C(=O)NCCCC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ PAOX Q6QHF9 7/20 0.38
▸ PLA2G4A P47712 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ACHE P22303 2/20 0.37
▸ ADRA1A P35348 1/20 0.36
▸ TGFBR1 P36897 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CASP2 P42575 1/20 0.32

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
SCHEMBL9137891 0.94 PAOX (0.46) KDM4EMAPK1HIF1APAOXPLA2G4A
SCHEMBL17297122 0.92 PAOX (0.48) KDM4EMAPK1HIF1APAOXPLA2G4A
SCHEMBL10301546 0.92 PAOX (0.48) KDM4EMAPK1HIF1APAOXPLA2G4A
SCHEMBL15535068 0.86 ALDH1A1 (0.41) KDM4EMAPK1HIF1APAOXALDH1A1
SCHEMBL19658369 0.86 KDM4E (0.46) KDM4EMAPK1HIF1APAOXPLA2G4A
SCHEMBL632876 0.86 KDM4E (0.46) KDM4EMAPK1HIF1APAOXALDH1A1
SCHEMBL907569 0.86 KDM4E (0.52) KDM4EMAPK1HIF1APAOXALDH1A1
SCHEMBL1557480 0.85 ADRA1A (0.53) MAPK1PLA2G4AADRA1APLA2G2A
SCHEMBL7113895 0.85 TDP1 (0.39) KDM4EMAPK1HIF1APAOXPLA2G4A
SCHEMBL8775294 0.84 KDM4E (0.56) KDM4EMAPK1HIF1APAOXALDH1A1

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-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 — — 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-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 KDM4E 1948/4885MAPK1 2582/4885HIF1A 1191/4885

“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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