SCHEMBL527312

SCHEMBL527312

Cc1cc(C)c2c(n1)C(=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.44
HTT P42858 1/20 0.40
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KDM4E B2RXH2 9/20 0.35
ALDH1A1 P00352 9/20 0.35
HPGD P15428 4/20 0.35
LMNA P02545 2/20 0.35
BRD4 O60885 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10286848 0.96 UHRF1 (0.44) UHRF1HTTNOS3NOS1NOS2
SCHEMBL10286535 0.84 KDM4E (0.40) UHRF1HTTKDM4EALDH1A1HPGD
SCHEMBL10286622 0.84 ALDH1A1 (0.40) UHRF1HTTKDM4EALDH1A1HPGD
SCHEMBL10286591 0.84 HTT (0.37) UHRF1HTTKDM4EALDH1A1HPGD
SCHEMBL10286496 0.84 HTT (0.37) UHRF1HTTKDM4EALDH1A1HPGD
SCHEMBL10286553 0.84 HTT (0.37) UHRF1HTTNOS3NOS1NOS2
SCHEMBL10270754 0.84 HTT (0.37) UHRF1HTTKDM4EALDH1A1HPGD
SCHEMBL10286628 0.82 HTT (0.36) UHRF1HTTKDM4EALDH1A1HPGD
SCHEMBL10286525 0.82 NPC1 (0.39) HTTKDM4EALDH1A1HPGDKMT2A
SCHEMBL10286588 0.81 KDM4E (0.36) HTTNOS3NOS1NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
EP-2598487-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES Syngenta Participations AG (CH) 2013-06-05 EP disclosed
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
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012117021-A2 NOVEL MICROBIOCIDAL OXIME ETHERS SYNGENTA PARTICIPATIONS AG (CH) 2012-09-07 WO disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO 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 (2 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 UHRF1 2860/4885HTT 4849/4885NOS3 239/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT UHRF1 2885/4885HTT 4816/4885NOS3 173/4885

“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.