SCHEMBL5584042

SCHEMBL5584042

COC(=O)c1noc(C)c1C1(C)OCCCO1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
PARG Q86W56 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
CNR2 P34972 1/20 0.30
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
SCHEMBL210638 0.94 KMT2A (0.38) KMT2AALDH1A1MAPTMEN1NPSR1
SCHEMBL2732942 0.80 ALDH1A1 (0.41) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL8280226 0.77 GRIA1 (0.39) KMT2AALDH1A1MAPTLMNAGAA
SCHEMBL25985564 0.69 NPSR1 (0.48) KMT2AALDH1A1MAPTMEN1NPSR1
SCHEMBL9585593 0.68 ALDH1A1 (0.50) KMT2AALDH1A1MEN1NPSR1HPGD
SCHEMBL31226129 0.66 ALDH1A1 (0.45) KMT2AALDH1A1MAPTMEN1NPSR1
SCHEMBL31226160 0.66 NPSR1 (0.45) KMT2AALDH1A1MAPTMEN1NPSR1
SCHEMBL22609347 0.66 NPSR1 (0.45) KMT2AALDH1A1MAPTMEN1NPSR1
SCHEMBL5431807 0.66 NPSR1 (0.45) KMT2AALDH1A1MAPTMEN1NPSR1
SCHEMBL19893057 0.66 NPSR1 (0.45) KMT2AALDH1A1MAPTMEN1NPSR1

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-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 KMT2A 123/4885ALDH1A1 758/4885MAPT 3905/4885

“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.