SCHEMBL20838567

SCHEMBL20838567

Cn1c(C(O)C2CCOCC2)cc2nccc(C(=O)O)c21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.58
KDM4A O75164 1/20 0.58
KDM5B Q9UGL1 7/20 0.37
KDM5A P29375 5/20 0.37
GCK P35557 1/20 0.34
PIK3CA P42336 1/20 0.33
LMNA P02545 1/20 0.33
CHEK2 O96017 1/20 0.33
KCNH2 Q12809 2/20 0.33
ATM Q13315 2/20 0.33
ATR Q13535 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
ACVRL1 P37023 1/20 0.33

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
SCHEMBL20838566 0.92 KDM4C (0.46) KDM4CKDM4AKDM5BKDM5ALMNA
SCHEMBL20838561 0.79 KDM5B (0.41) KDM4CKDM4AKDM5BKDM5ALMNA
SCHEMBL20838562 0.78 KDM5A (0.51) KDM4CKDM4AKDM5BKDM5ALMNA
SCHEMBL20838560 0.77 KDM5B (0.54) KDM4CKDM4AKDM5BKDM5ALMNA
SCHEMBL20838565 0.75 KDM5A (0.54) KDM4CKDM4AKDM5BKDM5ALMNA
SCHEMBL20838568 0.73 KDM5A (0.49) KDM4CKDM5BKDM5ALMNA
SCHEMBL16149577 0.67 KDM5B (0.47) KDM4CKDM4AKDM5BKDM5ALMNA
SCHEMBL16150955 0.66 KDM4C (0.77) KDM4CKDM4AKDM5BKDM5A
SCHEMBL16150767 0.64 KDM4C (0.84) KDM4CKDM4AKDM5BKDM5A
SCHEMBL20125458 0.64 KDM4C (0.84) KDM4CKDM4AKDM5BKDM5A

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-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-28 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-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A KDM4C 12/4885KDM4A 11/4885KDM5B 6/4885

“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.