SCHEMBL24985249

SCHEMBL24985249

COC(=O)c1nc(-c2ccc3c(c2OC)OC(F)(F)O3)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.34
KDM4E B2RXH2 5/20 0.33
PKM P14618 3/20 0.33
RCE1 Q9Y256 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ALPL P05186 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 1/20 0.32
ATR Q13535 1/20 0.32
CSNK1E P49674 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
NOTUM Q6P988 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 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
SCHEMBL30185279 1.00 ADORA2A (0.34) ADORA2AKDM4EPKMRCE1TAS1R3
SCHEMBL30185155 0.86 ADORA2A (0.38) ADORA2AKDM4EPKMRCE1ALDH1A1
SCHEMBL24986944 0.86 ADORA2A (0.38) ADORA2AKDM4EPKMRCE1ALDH1A1
SCHEMBL30185237 0.85 KDM4E (0.36) KDM4EPKMRCE1ALPLALDH1A1
SCHEMBL24985516 0.85 KDM4E (0.36) KDM4EPKMRCE1ALPLALDH1A1
SCHEMBL16072627 0.83 ADORA2A (0.38) ADORA2AKDM4EPKMRCE1ALPL
SCHEMBL24984539 0.82 P2RX7 (0.35) ADORA2AKDM4EPKMRCE1ALDH1A1
SCHEMBL30185118 0.82 P2RX7 (0.35) ADORA2AKDM4EPKMRCE1ALDH1A1
SCHEMBL24987912 0.82 STIM1 (0.44) KDM4EPKMRCE1ALPLALDH1A1
SCHEMBL30185317 0.82 STIM1 (0.44) KDM4EPKMRCE1ALPLALDH1A1

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 ADORA2A 689/4885KDM4E 1143/4885PKM 1121/4885

“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.