SCHEMBL7913098

SCHEMBL7913098

CCOC(=O)c1cc2c(nc1C)C(OC(C)=O)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 5/20 0.43
ACHE P22303 4/20 0.43
OPRK1 P41145 2/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PPARG P37231 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7913089 0.97 KDM4E (0.46) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7902834 0.88 KDM4E (0.50) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL10286037 0.86 KDM4E (0.46) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7910229 0.85 KDM4E (0.48) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7913326 0.84 KDM4E (0.46) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7911353 0.83 KDM4E (0.52) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7913111 0.83 KDM4E (0.52) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7902939 0.82 KDM4E (0.51) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7911315 0.81 KDM4E (0.50) KDM4ENPC1RAB9ACASP3ATM
SCHEMBL7902804 0.81 KDM4E (0.49) KDM4ENPC1RAB9ACASP3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO disclosed
US-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP 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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO KDM4E 1075/4885NPC1 3975/4885RAB9A 2972/4885

“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.