SCHEMBL1035860

SCHEMBL1035860

Cc1cc(C)c(C2C(=O)CC(CC3CCCCCC3)C2=O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
EPHX2 P34913 1/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX12 P18054 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PSMB5 P28074 1/20 0.31
HPGD P15428 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
SCHEMBL10326927 1.00 ACHE (0.33) ACHETAS1R3TAS1R1TAS1R2GAA
SCHEMBL15905639 1.00 ACHE (0.33) ACHETAS1R3TAS1R1TAS1R2GAA
SCHEMBL10327111 0.99 ACHE (0.31) ACHETAS1R3TAS1R1TAS1R2
SCHEMBL10327381 0.96
SCHEMBL10277168 0.93 CRBN (0.31) ACHE
SCHEMBL10327233 0.89 ACHE (0.32) ACHE
SCHEMBL10327226 0.88 POLB (0.33)
SCHEMBL1652645 0.86 NPC1 (0.31) TP53
SCHEMBL12239260 0.86 BRD4 (0.31)
SCHEMBL987817 0.86 OPRM1 (0.36) ACHEALDH1A1MAPK1LMNA

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-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 US disclosed
US-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 US disclosed
US-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 US disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 US disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 US disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 US disclosed
EP-2454223-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES Syngenta Limited (GB) 2012-05-23 EP disclosed
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 WO disclosed
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 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 (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-20120178623-A1 NOVEL HERBICIDES DDT, CBR3, C9 ACHE 31/4885TAS1R3 3625/4885TAS1R1 3853/4885

“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.