SCHEMBL821038

SCHEMBL821038

COC(=O)C1(C(=O)OC)C=CNC(c2ccccn2)=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 3/20 0.41
OPRK1 P41145 2/20 0.38
AXL P30530 1/20 0.36
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CASP1 P29466 2/20 0.35
TGFBR1 P36897 1/20 0.35
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL93597 0.83 KDM4E (0.42) KDM4EHSD17B10KDM6BKDM4AKDM5C
SCHEMBL2872125 0.78 KDM4E (0.34) KDM4EHSD17B10KDM6BKDM4AKDM5C
Thiocyanic Acid SCHEMBL1615957 0.77 KDM4E (0.37) KDM4EHSD17B10KDM6BKDM4AKDM5C
SCHEMBL1312502 0.76 KDM4E (0.38) KDM4EHSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL8357911 0.76 KDM4E (0.40) KDM4EHSD17B10KDM6BKDM4AKDM5C
SCHEMBL9132747 0.75 KDM4E (0.37) KDM4EHSD17B10AXLALDH1A1HTT
SCHEMBL435395 0.74 KDM4E (0.42) KDM4EHSD17B10ALDH1A1HTTL3MBTL1
SCHEMBL15641196 0.74 KDM4E (0.42) KDM4EHSD17B10KDM6BKDM4AKDM5C
SCHEMBL2871839 0.73 BCHE (0.40) KDM4EL3MBTL1
SCHEMBL1311500 0.72 KDM4E (0.39) KDM4EHSD17B10ALDH1A1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 KDM4E 724/4885HSD17B10 1090/4885OPRK1 3055/4885

“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.