SCHEMBL6513522

SCHEMBL6513522

COC(=O)c1ccccc1NCCOC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
GLA P06280 1/20 0.68
ALDH1A1 P00352 8/20 0.61
HSD17B10 Q99714 4/20 0.61
POLB P06746 1/20 0.54
ATM Q13315 1/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 3/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6382404 0.85 KDM4E (0.48) KDM4EGLAALDH1A1HSD17B10KMT2A
SCHEMBL16691019 0.81 KDM4E (0.71) KDM4EGLAALDH1A1HSD17B10POLB
SCHEMBL6513253 0.81 KDM4E (1.00) KDM4EGLAALDH1A1HSD17B10POLB
SCHEMBL7819029 0.81 KDM4E (0.76) KDM4EGLAALDH1A1HSD17B10POLB
SCHEMBL11206122 0.81 KDM4E (0.66) KDM4EGLAALDH1A1HSD17B10POLB
SCHEMBL28772834 0.80 MAPT (0.58) KDM4EALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL10364552 0.80 KDM4E (0.73) KDM4EGLAALDH1A1HSD17B10POLB
SCHEMBL6318031 0.79 KDM4E (0.72) KDM4EGLAALDH1A1HSD17B10POLB
SCHEMBL28672732 0.78 KDM4E (0.71) KDM4EGLAALDH1A1HSD17B10POLB
SCHEMBL15850369 0.78 KDM4E (0.71) KDM4EGLAALDH1A1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
US-4234482-A Substituted 3-carbalkoxy 4-alkylamino-azobenzene compound as disperse dyestuffs for synthetic fibers PRODUITS CHIMIQUES UGINE KUHLMANN SERVICE PROPRIETE INDUSTRIELLE (FR) 1980-11-18 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KDM4E 1251/4885GLA 3621/4885ALDH1A1 4635/4885

“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.