SCHEMBL940332

SCHEMBL940332

CCC(C)OC(=O)C(C(=O)O)c1ncc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRA6 Q16445 1/20 0.35
RECQL P46063 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
BCHE P06276 1/20 0.34
LIPE Q05469 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL18335086 0.88 MAPK1 (0.38) MAPK1KMT2AMEN1L3MBTL1MAPT
SCHEMBL15142139 0.83 ALDH1A1 (0.36) MAPK1KMT2AMEN1L3MBTL1LMNA
SCHEMBL17476583 0.80 MAPT (0.40) KMT2AL3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL5772798 0.80 MAPT (0.35) MAPK1KMT2AMEN1LMNAMAPT
SCHEMBL18335075 0.79 EGLN1 (0.38) MAPK1KMT2AMEN1MAPT
SCHEMBL4534445 0.77 MAPT (0.37) KMT2AMAPTGABRA1GABRG2GABRB3
SCHEMBL12985302 0.77 MAPT (0.38) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL896209 0.76 MEN1 (0.56) MAPK1KMT2AMEN1L3MBTL1LMNA
SCHEMBL895506 0.75 L3MBTL1 (0.42) MAPK1L3MBTL1LMNABCHELIPE
SCHEMBL7691831 0.73 MAPT (0.43) KMT2AMEN1LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254416-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2016-09-07 EP disclosed
US-8653078-B2 Herbicidal pyrido[2,3-b]pyrazines SYNGENTA LIMITED 2014-02-18 US disclosed
US-20130137574-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2013-05-30 US disclosed
US-8338598-B2 Herbicidal pyrido[2,3-B]pyrazines and their use as herbicides SYNGENTA LIMITED 2012-12-25 US disclosed
US-20110021351-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2254416-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-12-01 EP disclosed
WO-2009090402-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-23 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 (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-20130137574-A1 HERBICIDAL COMPOUNDS DDT, CBR3, CBR1 MAPK1 171/4885KMT2A 2153/4885MEN1 3263/4885
US-20110021351-A1 HERBICIDAL COMPOUNDS DDT, CBR3, TH MAPK1 157/4885KMT2A 1132/4885MEN1 3200/4885

“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.