SCHEMBL4897905

SCHEMBL4897905

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC(C)(C)CO)cc2n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
CNR2 P34972 2/20 0.33
NPC1 O15118 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK14 Q16539 1/20 0.31
POLB P06746 2/20 0.31
SLC5A1 P13866 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PABPC1 P11940 1/20 0.31
ALOX5 P09917 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RX7 Q99572 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
SCHEMBL4591660 0.90 CNR2 (0.35) CNR2NPC1MAPK14SLC5A1LMNA
SCHEMBL4894988 0.90 ALDH1A1 (0.40) ALDH1A1KDM4ENPC1ALOX15POLB
SCHEMBL14067525 0.88 MEN1 (0.37) KDM4ECNR2MEN1KMT2A
SCHEMBL4903775 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBLMNAMEN1
SCHEMBL14067512 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBLMNAMEN1
SCHEMBL4906859 0.87 KDM4E (0.41) KDM4ECNR2NPC1MAPK14MEN1
SCHEMBL4906027 0.86 MEN1 (0.36) KDM4ECNR2MEN1KMT2A
SCHEMBL4906060 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL14067541 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBLMNAMEN1
SCHEMBL14076857 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBLMNAMEN1

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 1139/4885CNR2 4815/4885

“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.