SCHEMBL526243

SCHEMBL526243

Cc1cc(-c2ccccc2)c2c(n1)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
HSD17B10 Q99714 6/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALOX15 P16050 2/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 3/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
ALDH1A1 P00352 4/20 0.42
ACHE P22303 4/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 3/20 0.42

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
SCHEMBL15127494 0.98 KDM4E (0.44) KDM4EHSD17B10LMNASMN1; SMN2ALOX15
SCHEMBL7327037 0.80 BCHE (0.46) KDM4EHSD17B10LMNASMN1; SMN2ALOX15
SCHEMBL12744728 0.78 KDM4E (0.41) KDM4EHSD17B10LMNASMN1; SMN2ALOX15
SCHEMBL10286126 0.78 KMT2A (0.44) KDM4EHSD17B10LMNASMN1; SMN2ALOX15
SCHEMBL15334744 0.77 KDM4E (0.45) KDM4EHSD17B10LMNASMN1; SMN2ALOX15
SCHEMBL527288 0.75 KMT2A (0.48) KDM4EHSD17B10LMNAMAPTL3MBTL1
SCHEMBL28151329 0.75 MAPT (0.52) KDM4EHSD17B10LMNAALOX15HTT
SCHEMBL28457131 0.75 ADORA2A (0.47) KDM4EHSD17B10LMNASMN1; SMN2HTT
SCHEMBL28458920 0.75 AGTR1 (0.47) KDM4EHSD17B10LMNASMN1; SMN2ALOX15
SCHEMBL10286349 0.75 ACHE (0.45) KDM4EHSD17B10LMNASMN1; SMN2MAPT

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 8 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
EP-2598487-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES Syngenta Participations AG (CH) 2013-06-05 EP disclosed
EP-2588456-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES Syngenta Participations AG (CH) 2013-05-08 EP disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
CN-103038217-A Novel microbiocidal dioxime ether derivatives SYNGENTA PARTICIPATIONS AG 2013-04-10 CN 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
US-4160094-A Tetrahydroquinoline derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-07-03 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 (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 KDM4E 1075/4885HSD17B10 2290/4885LMNA 4102/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT KDM4E 428/4885HSD17B10 2498/4885LMNA 4570/4885

“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.