SCHEMBL4907045

SCHEMBL4907045

CCOC(=O)c1c(OC(=O)C(C)(C)C)c2ncc(Cc3ccc(F)cc3OCCN(C)C)cc2n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH1 P35367 1/20 0.32
LMNA P02545 2/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL16481073 0.92 KDM4E (0.34) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL5541105 0.90 ALDH1A1 (0.35) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4907731 0.88 SMN1; SMN2 (0.36) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4907066 0.88 KDM4E (0.36) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL4907019 0.88 CASP7 (0.36) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL4896257 0.87 ALDH1A1 (0.39) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL14067440 0.87 ALDH1A1 (0.37) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL4907755 0.87 KDM4E (0.33) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4904871 0.86 KDM4E (0.33) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4907882 0.85 ALDH1A1 (0.35) HPGDKDM4EALDH1A1MEN1KMT2A

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 HPGD 3212/4885KDM4E 1139/4885ALDH1A1 2874/4885

“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.