SCHEMBL10196217

SCHEMBL10196217

CCc1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C1=C(O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.35
HSPB1 P04792 2/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KIF11 P52732 3/20 0.34
TBXA2R P21731 1/20 0.33
ESRRA P11474 1/20 0.33
MAPK1 P28482 1/20 0.33
AR P10275 1/20 0.33
PLA2G7 Q13093 1/20 0.33

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
SCHEMBL10195501 0.88 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1HSPB1
SCHEMBL10195523 0.83 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1AKR1C3
SCHEMBL10196231 0.83 KDM4E (0.48) CYP2C9ALDH1A1LMNAESRRAMAPK1
SCHEMBL10196274 0.81 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1HSPB1
SCHEMBL10195339 0.81 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1HSPB1
SCHEMBL19070683 0.80 CYP2C9 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL10196320 0.80 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1AKR1C3
SCHEMBL16257077 0.79 FFAR1 (0.40) LMNA
SCHEMBL10196195 0.77 MRGPRX4 (0.35) ALDH1A1LMNAAR
SCHEMBL10196193 0.77 FFAR1 (0.45)

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
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
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 CYP1A2 67/4885CYP2C9 249/4885CYP2C19 601/4885

“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.