SCHEMBL16447196

SCHEMBL16447196

CCOC(=O)c1cn[c]cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL29574609 0.72 BAZ2B (0.51) TSHRCYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL873827 0.72 CASP1 (0.52) TSHRCYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL190973 0.72 BAZ2B (0.51) TSHRCYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL3652621 0.72 BAZ2B (0.51) TSHRCYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL236240 0.71 CYP4F2 (0.57) TSHRCYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL9808548 0.71 KMT2A (0.49) TSHRALDH1A1KMT2AMEN1CA1
Hydrochloric Acid SCHEMBL15531243 0.71 CASP1 (0.51) TSHRCYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL2567016 0.70 TSHR (0.52) TSHRCYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL19744027 0.70 TSHR (0.47) TSHRALDH1A1KMT2AMEN1CA1
SCHEMBL1521876 0.70 KMT2A (0.48) TSHRCYP4F2CYP4A11BAZ2BBAZ2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3030081-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES Syngenta Participations AG (CH) 2016-06-15 EP disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 US disclosed
WO-2015018431-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 WO 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 TSHR 1258/4885CYP4F2 107/4885CYP4A11 404/4885

“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.