SCHEMBL16019374

SCHEMBL16019374

CC(C)(C)n1ccc(C(F)(F)F)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
MAPT P10636 3/20 0.37
KRAS P01116 1/20 0.37
SOS1 Q07889 1/20 0.37
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAT2A P31153 3/20 0.33
KIF11 P52732 1/20 0.33
PKM P14618 1/20 0.33
AR P10275 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL10205288 0.84 HDAC4 (0.41) CA2MAPTLMNAGAAALDH1A1
SCHEMBL16019329 0.81 MCHR1 (0.46) KIF11
SCHEMBL19465232 0.77 HDAC4 (0.39) DRD2DRD3ALDH1A1L3MBTL1KIF11
SCHEMBL16021165 0.76 HDAC6 (0.47) CA2MAPTLMNAGAADRD2
SCHEMBL16019366 0.74 ALDH1A1 (0.39) CA2MAPTGAAALDH1A1MEN1
SCHEMBL13243615 0.73 DRD2 (0.42) CA2MAPTLMNADRD2DRD3
SCHEMBL22403089 0.72 HSP90AA1 (0.31) GAAMEN1KMT2A
SCHEMBL22402990 0.72 CA12 (0.38) MAPTGAAALDH1A1MEN1TSHR
SCHEMBL28763325 0.72 CA2 (0.46) CA2MAPTGAAALDH1A1MEN1
SCHEMBL17973812 0.72 KRAS (0.40) CA2KRASSOS1ALDH1A1MAT2A

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-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 CA2 602/4885MAPT 4783/4885KRAS 2053/4885

“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.