SCHEMBL115239

SCHEMBL115239

CCn1c(=O)c(-c2ccccc2C)c(O)c2ccoc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
RCE1 Q9Y256 1/20 0.43
ALDH1A1 P00352 7/20 0.38
BRD4 O60885 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
KCNA3 P22001 1/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL115060 0.86 KDM4E (0.37) KDM4ERCE1ALDH1A1BRD4HPGD
SCHEMBL114965 0.85 KCNA3 (0.35) KDM4ERCE1ALDH1A1BRD4HPGD
SCHEMBL114967 0.85 METAP2 (0.39) KDM4ERCE1ALDH1A1BRD4HPGD
SCHEMBL115089 0.84 KCNA3 (0.44) KDM4EALDH1A1BRD4MAPTHPGD
SCHEMBL115072 0.78 KDM4E (0.36) KDM4ERCE1ALDH1A1BRD4MAPT
SCHEMBL113750 0.74 KDM4E (0.43) KDM4ERCE1ALDH1A1BRD4MAPT
SCHEMBL115139 0.73 KDM4E (0.42) KDM4ERCE1ALDH1A1BRD4MAPT
SCHEMBL115176 0.73 KDM4E (0.42) KDM4ERCE1ALDH1A1BRD4MAPT
SCHEMBL115199 0.72 HPGD (0.44) KDM4ERCE1ALDH1A1BRD4MAPT
SCHEMBL115070 0.71 KDM4E (0.37) KDM4ERCE1ALDH1A1BRD4HPGD

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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 KDM4E 525/4885RCE1 3502/4885ALDH1A1 274/4885

“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.