SCHEMBL30185237

SCHEMBL30185237

COC(=O)c1nc(-c2ccc(Cl)c3c2OC(F)(F)O3)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
PKM P14618 4/20 0.36
RCE1 Q9Y256 1/20 0.36
ALPL P05186 2/20 0.35
NOTUM Q6P988 2/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL24985516 1.00 KDM4E (0.36) KDM4EPKMRCE1ALPLNOTUM
SCHEMBL24986944 0.86 ADORA2A (0.38) KDM4EPKMRCE1ALDH1A1MAPT
SCHEMBL30185155 0.86 ADORA2A (0.38) KDM4EPKMRCE1ALDH1A1MAPT
SCHEMBL24985249 0.85 ADORA2A (0.34) KDM4EPKMRCE1ALPLNOTUM
SCHEMBL30185279 0.85 ADORA2A (0.34) KDM4EPKMRCE1ALPLNOTUM
SCHEMBL24984373 0.85 MEN1 (0.33) ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL30185119 0.85 MEN1 (0.33) ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL16072662 0.84 KDM4E (0.39) KDM4EPKMRCE1ALPLNOTUM
SCHEMBL24986932 0.82 CSNK1E (0.37) KDM4EPKMRCE1ALPLNOTUM
SCHEMBL30185262 0.82 CSNK1E (0.37) KDM4EPKMRCE1ALPLNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT KDM4E 1143/4885PKM 1121/4885RCE1 2548/4885

“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.