SCHEMBL526494

SCHEMBL526494

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
KDM4E B2RXH2 9/20 0.34
ALDH1A1 P00352 6/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
BRD4 O60885 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
UHRF1 Q96T88 1/20 0.32
HSD17B10 Q99714 2/20 0.30
POLB P06746 1/20 0.30
MCL1 Q07820 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30

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
SCHEMBL10286076 0.97 KDM4E (0.33) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL10286627 0.86 KDM4E (0.38) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL10286087 0.83 KDM4E (0.35) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL527312 0.80 UHRF1 (0.44) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL10286535 0.79 KDM4E (0.40) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL10286888 0.78 GRM2 (0.34) HTTKDM4EALDH1A1HPGDBRD4
SCHEMBL10286848 0.76 UHRF1 (0.44) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL10286897 0.76 BRD4 (0.34) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL10286486 0.76 HPGD (0.39) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL10286496 0.76 HTT (0.37) HTTKDM4EALDH1A1LMNAHPGD

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 9 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
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
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 HTT 4849/4885KDM4E 1075/4885ALDH1A1 1110/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT HTT 4816/4885KDM4E 428/4885ALDH1A1 1961/4885

“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.