SCHEMBL407940

SCHEMBL407940

O=C1CCC(=O)C1c1cc(Oc2ccc(Cl)cc2)ccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.39
AR P10275 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
SCN3A Q9NY46 1/20 0.35
HCRTR2 O43614 3/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
HCRTR1 O43613 2/20 0.35
SCN9A Q15858 2/20 0.35

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
SCHEMBL411018 0.80 PNLIP (0.36) PNLIPARALDH1A1KDM4EMEN1
SCHEMBL1316543 0.77 MARS1 (0.37)
SCHEMBL407171 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1CYP1A2CYP2D6
SCHEMBL407043 0.75 WDR5 (0.37) ALDH1A1MEN1KMT2AMAOAMAOB
SCHEMBL515650 0.72 ALDH1A1 (0.40) ALDH1A1LMNAMAOAMAOBSLC6A4
SCHEMBL10196096 0.71 PNLIP (0.39) PNLIPARALDH1A1MEN1KMT2A
SCHEMBL1743662 0.70 CCR6 (0.34) PNLIPARALDH1A1LMNAHCRTR2
SCHEMBL22816078 0.69 PTGDR2 (0.44) HPGDSMN1; SMN2HCRTR2HCRTR1SLC6A4
SCHEMBL22407023 0.67 AR (0.46) ARALDH1A1MEN1MAPTHPGD
SCHEMBL22439734 0.66 PNLIP (0.46) PNLIPARMEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
EP-2389066-A1 CYCLOPENTADIONE DERIVED HERBICIDES Syngenta Limited (GB) 2011-11-30 EP disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PNLIP 3374/4885AR 3331/4885ALDH1A1 14/4885

“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.