SCHEMBL17808248

SCHEMBL17808248

CC(C)=C(C)c1cnc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL17808249 0.83 PDE3B (0.35) ASPHMEN1KMT2AMAPT
SCHEMBL16454235 0.81 ASPH (0.35) ASPHMEN1KMT2AMAPT
SCHEMBL17816217 0.76 KMT2A (0.43) ASPHMEN1KMT2A
SCHEMBL17808225 0.76 GABRA1 (0.39)
SCHEMBL17808229 0.76 GABRA1 (0.39)
SCHEMBL17808271 0.75 MAPT (0.40) ASPHMEN1KMT2AMAPT
SCHEMBL17816208 0.75 POLB (0.41) ASPHMAPT
SCHEMBL17808203 0.73 GAA (0.38) MEN1KMT2AMAPT
SCHEMBL17816212 0.73 NPSR1 (0.44) MEN1KMT2AMAPT
SCHEMBL10183711 0.73 NR1H2 (0.35) ASPH

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 6 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-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed
US-20160159767-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 (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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 ASPH 1341/4885MEN1 2767/4885KMT2A 1627/4885
US-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 ASPH 1341/4885MEN1 2767/4885KMT2A 1627/4885

“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.