SCHEMBL10196231

SCHEMBL10196231

CCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C1=C(O)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
MASP2 O00187 1/20 0.41
F2 P00734 1/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESRRA P11474 1/20 0.39
HPD P32754 2/20 0.39

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
SCHEMBL16257077 0.86 FFAR1 (0.40) MAPTLMNAL3MBTL1
SCHEMBL10196193 0.85 FFAR1 (0.45) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10196237 0.85 SLC6A4 (0.36) MAPTCYP2C9LMNAL3MBTL1ESRRA
SCHEMBL10196217 0.83 CYP1A2 (0.44) ALDH1A1MAPK1CYP2C9LMNAESRRA
SCHEMBL10195597 0.81 MAPT (0.43) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL10196292 0.81 MAPT (0.43) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL10195344 0.80 MAPT (0.43) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL7176637 0.80 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL10195555 0.79 MAPT (0.41) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL10196196 0.79 MAPK1 (0.35) ALDH1A1MAPTHPGDMAPK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDM4E 1092/4885ALDH1A1 14/4885MAPT 3903/4885

“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.