SCHEMBL17816260

SCHEMBL17816260

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL17808278 0.87 GABRA2 (0.36) GABRA2GABRB2
SCHEMBL17816234 0.85 GABRA2 (0.35) GABRA2GABRB2
SCHEMBL17816240 0.85 GABRA2 (0.38) GABRA2GABRB2
SCHEMBL17808306 0.82
SCHEMBL29417448 0.79 TDP1 (0.44) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL249075 0.79 TDP1 (0.44) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL10848859 0.77 SMN1; SMN2 (0.33) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL17816259 0.77 GABRA2 (0.31) GABRA2GABRB2
SCHEMBL21719163 0.76 KDM4E (0.31) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL5120892 0.76 TDP1 (0.37) KDM4EALDH1A1CYP1A2MAPTALOX15

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 4 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
EP-3030081-B1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-08-02 EP 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 KDM4E 953/4885ALDH1A1 300/4885CYP1A2 22/4885

“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.