SCHEMBL17816240

SCHEMBL17816240

CC(C)(C)c1cc(C(F)(F)F)c(Cl)nn1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
NOTUM Q6P988 1/20 0.34
AR P10275 1/20 0.34
PIK3CD O00329 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
SCHEMBL17808278 0.90 GABRA2 (0.36) GABRA2GABRB2
SCHEMBL17816234 0.88 GABRA2 (0.35) GABRA2GABRB2
SCHEMBL17816260 0.85 KDM4E (0.32) GABRA2GABRB2
SCHEMBL30636520 0.77 AR (0.38) GABRA2GABRB2AR
SCHEMBL20972290 0.77 AR (0.38) GABRA2GABRB2AR
SCHEMBL17808306 0.77
SCHEMBL12477043 0.75 PIK3CD (0.39) NOTUMARPIK3CD
SCHEMBL1204974 0.74 TDP1 (0.44) NOTUMARPIK3CD
SCHEMBL29708780 0.74 TDP1 (0.44) NOTUMARPIK3CD
SCHEMBL17816259 0.72 GABRA2 (0.31) GABRA2GABRB2

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 GABRA2 3650/4885GABRB2 2845/4885NOTUM 553/4885

“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.