SCHEMBL7913313

SCHEMBL7913313

CCOC(=O)c1cc2c(nc1C)C(O)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
NPC1 O15118 2/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
ALDH1A1 P00352 4/20 0.44
ACHE P22303 4/20 0.44
ALOX15 P16050 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
OPRK1 P41145 2/20 0.43
PPARG P37231 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
OPRM1 P35372 1/20 0.41

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
SCHEMBL7911353 0.96 KDM4E (0.52) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7916696 0.87 KDM4E (0.50) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7913218 0.87 ACHE (0.42) KDM4ENPC1RAB9AALDH1A1ACHE
SCHEMBL7910219 0.86 KDM4E (0.49) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7910229 0.85 KDM4E (0.48) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7913111 0.84 KDM4E (0.52) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7912964 0.83 ACHE (0.44) KDM4ENPC1RAB9AALDH1A1ACHE
SCHEMBL7913089 0.83 KDM4E (0.46) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7902939 0.82 KDM4E (0.51) KDM4ENPC1CASP3RAB9AATM
SCHEMBL7902834 0.81 KDM4E (0.50) KDM4ENPC1CASP3RAB9AATM

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 3975/4885CASP3 321/4885

“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.