SCHEMBL17816233

SCHEMBL17816233

CC(C)(C)c1cc(C(F)(F)F)c(C(=O)CC#N)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AR P10275 12/20 0.36
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
ASPH Q12797 1/20 0.33
PGR P06401 2/20 0.33
MAPT P10636 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 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
SCHEMBL17816464 0.85 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL17816217 0.74 KMT2A (0.43) CYP3A4CYP2C19ALDH1A1GAAKDM4E
SCHEMBL17808229 0.74 GABRA1 (0.39) ALDH1A1GAAHPGDL3MBTL1AR
SCHEMBL17808225 0.74 GABRA1 (0.39) ALDH1A1GAAHPGDL3MBTL1AR
SCHEMBL17816212 0.74 NPSR1 (0.44) ALDH1A1GAAL3MBTL1KDM4EMAPT
SCHEMBL17816218 0.74 MAPT (0.43) ALDH1A1L3MBTL1MAPT
SCHEMBL17816208 0.73 POLB (0.41) L3MBTL1ASPHMAPT
SCHEMBL17808271 0.73 MAPT (0.40) ALDH1A1GAAARASPHMAPT
SCHEMBL17808248 0.72 ASPH (0.33) ASPHMAPT
SCHEMBL17808249 0.72 PDE3B (0.35) ASPHMAPT

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-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 CYP1A2 22/4885CYP3A4 459/4885CYP2C19 517/4885

“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.