SCHEMBL4519959

SCHEMBL4519959

COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC(C)CCCCC(=O)O)c23)cc1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
UBE2N P61088 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TEK Q02763 7/20 0.49
KDR P35968 5/20 0.49
AURKA O14965 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CHEK1 O14757 2/20 0.46
CDK1 P06493 1/20 0.46
TNK2 Q07912 1/20 0.45
EGFR P00533 1/20 0.44
POLB P06746 1/20 0.43
RAD52 P43351 1/20 0.43
GSK3B P49841 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6750708 0.99 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530234 0.99 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL6750702 0.99 KDM4E (0.54) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519965 0.98 KDM4E (0.53) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
Monoethanolamine SCHEMBL4531691 0.94 KDM4E (0.52) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL2180434 0.93 CHEK1 (0.50) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4530312 0.92 KDM4E (0.52) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL4519961 0.92 KDM4E (0.52) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL12409657 0.90 KDM4E (0.44) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2
SCHEMBL2180686 0.90 KDM4E (0.44) KDM4EALDH1A1HPGDUBE2NSMN1; SMN2

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-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT KDM4E 3800/4885ALDH1A1 318/4885HPGD 75/4885

“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.