SCHEMBL4830744

SCHEMBL4830744

CCOC(=O)c1nc(C2(OCCCO)CCOCC2)[nH]c(=O)c1O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 4/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
RNASEH1 O60930 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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
SCHEMBL1169665 0.94 KDM4E (0.34) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL1169995 0.91 LMNA (0.35) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL1169610 0.88 LMNA (0.33) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL14064602 0.86 KDM4E (0.38) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL1170226 0.84 LMNA (0.36) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL12864836 0.84 LMNA (0.36) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL2080734 0.78 ENPP2 (0.42) ALOX15MEN1KMT2AALDH1A1GAA
SCHEMBL2080125 0.77 CYP3A4 (0.35) MAPTMEN1KMT2AALDH1A1RNASEH1
SCHEMBL2079178 0.77 ALDH1A1 (0.34) KDM4EMAPTALOX15MEN1KMT2A
SCHEMBL2526843 0.77 KDM4E (0.32) KDM4EMAPTALOX15MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 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-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 KDM4E 913/4885MAPT 3137/4885ALOX15 2836/4885

“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.