SCHEMBL10195344

SCHEMBL10195344

CCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
MASP2 O00187 1/20 0.39
F2 P00734 1/20 0.39
IDO1 P14902 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
ESRRA P11474 1/20 0.37

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
SCHEMBL16351689 0.94 ALDH1A1 (0.38) MAPTKDM4EHPGDALDH1A1CYP2C9
SCHEMBL10195393 0.89 HSPB1 (0.43) MAPTKDM4EHPGDALDH1A1MAPK1
SCHEMBL10195340 0.88 ALDH1A1 (0.45) MAPTKDM4EHPGDALDH1A1MAPK1
SCHEMBL16351664 0.88 ALDH1A1 (0.41) MAPTKDM4EHPGDALDH1A1CYP2C9
SCHEMBL10195377 0.87 LMNA (0.38) MAPTKDM4EHPGDALDH1A1MAPK1
SCHEMBL10195376 0.87 PDE7A (0.44) MAPTKDM4EHPGDALDH1A1MAPK1
SCHEMBL10195182 0.86 SLC6A4 (0.34) MAPTKDM4ECYP2C9LMNAL3MBTL1
SCHEMBL10195202 0.86 FFAR1 (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL16351647 0.86 KDM4E (0.44) MAPTKDM4EHPGDALDH1A1CYP2C9
SCHEMBL10195339 0.85 CYP1A2 (0.44) MAPTKDM4EHPGDALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US 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 (2 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAPT 3785/4885KDM4E 712/4885HPGD 2028/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAPT 3903/4885KDM4E 1092/4885HPGD 2284/4885

“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.