SCHEMBL10196320

SCHEMBL10196320

CCc1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AR P10275 7/20 0.34
KIF11 P52732 3/20 0.32
ALDH1A1 P00352 3/20 0.31
PLA2G7 Q13093 1/20 0.31
LMNA P02545 2/20 0.31
HSP90AA1 P07900 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TBXA2R P21731 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL10196274 0.89 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19ARKIF11
SCHEMBL10196307 0.81 MRGPRX4 (0.31) ARTHRB
SCHEMBL10196303 0.80 FFAR1 (0.41) MEN1KMT2A
SCHEMBL10196217 0.80 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19ARKIF11
SCHEMBL19071001 0.79 AR (0.39) AR
SCHEMBL10196322 0.79 AR (0.39) AR
SCHEMBL10196183 0.78 PTGS2 (0.35)
SCHEMBL10196308 0.78 MAPT (0.31) ALDH1A1LMNAMEN1GAAMAPT
SCHEMBL10196061 0.78 S1PR1 (0.35) ARALDH1A1LMNANPSR1KDM4E
SCHEMBL19070612 0.78 S1PR1 (0.35) ARALDH1A1LMNANPSR1KDM4E

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.