SCHEMBL987774

SCHEMBL987774

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
PSMB5 P28074 1/20 0.31
NR1I2 O75469 1/20 0.30
KDM4B O94953 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
DOHH Q9BU89 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
SCHEMBL987772 1.00 EGFR (0.34) EGFRTAS1R3TAS1R1TAS1R2PSMB5
SCHEMBL10326926 1.00 EGFR (0.34) EGFRTAS1R3TAS1R1TAS1R2PSMB5
SCHEMBL10327133 1.00 EGFR (0.34) EGFRTAS1R3TAS1R1TAS1R2PSMB5
SCHEMBL10326928 0.99 EGFR (0.33) EGFRTAS1R3TAS1R1TAS1R2
SCHEMBL984089 0.93
SCHEMBL984091 0.93
SCHEMBL10326925 0.93
SCHEMBL986750 0.89 EGFR (0.33) EGFR
SCHEMBL986278 0.89 EGFR (0.33) EGFR
SCHEMBL2040835 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 EGFR 590/4885TAS1R3 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.