SCHEMBL4907882

SCHEMBL4907882

CCOC(=O)c1c(OC(=O)C(C)(C)C)c2ncc(Cc3ccc(F)cc3C(C)=O)cc2n(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 2/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
HSD17B10 Q99714 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL4896257 0.91 ALDH1A1 (0.39) ALDH1A1KDM4EPDE3BPDE3AHSD17B10
SCHEMBL14067440 0.91 ALDH1A1 (0.37) ALDH1A1KDM4EPDE3BPDE3AHSD17B10
SCHEMBL5541105 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EPDE3BPDE3AMEN1
SCHEMBL16481073 0.87 KDM4E (0.34) ALDH1A1KDM4EPDE3BPDE3AHSD17B10
SCHEMBL14067472 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EPDE3BPDE3AHSD17B10
SCHEMBL4907731 0.86 SMN1; SMN2 (0.36) ALDH1A1KDM4EPDE3BPDE3AHSD17B10
SCHEMBL4907066 0.86 KDM4E (0.36) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL4907045 0.85 HPGD (0.37) ALDH1A1KDM4EPDE3BPDE3AGAA
SCHEMBL4907755 0.85 KDM4E (0.33) ALDH1A1KDM4EPDE3BPDE3AHSD17B10
SCHEMBL4904871 0.85 KDM4E (0.33) ALDH1A1KDM4EPDE3BPDE3AMEN1

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-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
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 1139/4885PDE3B 3165/4885

“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.