SCHEMBL7663273

SCHEMBL7663273

C[CH]C(C)(Cl)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
PKM P14618 3/20 0.42
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MMP8 P22894 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36

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
SCHEMBL20098855 0.83 PKM (0.46) CYP4F2CYP4A11PKMABCB11CYP1A2
SCHEMBL3135166 0.81 PKM (0.41) CYP4F2CYP4A11PKMABCB11CYP1A2
SCHEMBL513322 0.77
SCHEMBL4300603 0.77 ALDH1A1 (0.46) CYP4F2CYP4A11PKMABCB11CYP1A2
SCHEMBL7107426 0.77
SCHEMBL7656483 0.75
SCHEMBL18755032 0.75
SCHEMBL56546 0.74
SCHEMBL3160237 0.74 ALDH1A1 (0.48) CYP4F2CYP4A11PKMABCB11CYP1A2
SCHEMBL1927746 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1121394-C Substituted phenyluracils BAYER AG (DE) 2003-09-17 CN disclosed
US-6455697-B2 Substituted phenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US disclosed
EP-0843667-B1 SUBSTITUTED PHENYLURACILS BAYER AG (DE) 2001-10-17 EP disclosed
US-6251828-B1 HERBICIDE FOR TOTAL CONTROL OF WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
US-20010003732-A1 1-(4-cyano-2-fluoro-5-(2-chloro-2-methoxycarbonylethyl) -phenyl)-3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1-(2H)-pyrimidine, for example; use as herbicides; chemical intermediates and method of synthesis ANDREE ROLAND (DE) 2001-06-14 US disclosed
CN-1197455-A Substituted phenyluracils BAYER AG (DE) 1998-10-28 CN disclosed
EP-0843667-A1 SUBSTITUTED PHENYLURACILS BAYER AG (DE) 1998-05-27 EP disclosed
WO-1997005118-A1 SUBSTITUTED PHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 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-20010003732-A1 1-(4-cyano-2-fluoro-5-(2-chloro-2-methoxycarbonylethyl) -phenyl)-3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1-(2H)-pyrimidine, for example; use as herbicides; chemical intermediates and method of synthesis DDT, DPYD, DHFR CYP4F2 32/4885CYP4A11 833/4885PKM 1673/4885

“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.