SCHEMBL4906006

SCHEMBL4906006

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3OCC(=O)OC(C)(C)C)cc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HIF1A Q16665 1/20 0.32
ALOX5 P09917 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
NPC1 O15118 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4903463 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL4907755 0.89 KDM4E (0.33) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4900371 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL4898107 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL14076830 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL4912567 0.85 KDM4E (0.44) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL14067541 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL14076857 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL4894901 0.81 KDM4E (0.42) ALDH1A1KDM4EMAPTPKMLMNA
SCHEMBL4714636 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTPKMLMNA

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-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 ALDH1A1 2874/4885KDM4E 1139/4885MAPT 1113/4885

“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.