SCHEMBL2957671

SCHEMBL2957671

COc1cc2c(c(C)c1C(=O)OC(C)(C)C)C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
DUSP3 P51452 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
SLC37A4 O43826 3/20 0.41
GRM6 O15303 1/20 0.41
TTR P02766 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
THRB P10828 2/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL2958068 0.89 ELANE (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2955404 0.85 BCL2 (0.47) MAPTMEN1KMT2AALDH1A1SLC37A4
SCHEMBL2955955 0.83 SLC37A4 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
Anthraquinone SCHEMBL2946623 0.83 SLC37A4 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4453646 0.81 NPC1 (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
Anthraquinone SCHEMBL2948902 0.77 SLC37A4 (0.48) MEN1KMT2ASLC37A4
SCHEMBL2955820 0.77 SLC37A4 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2947006 0.76 SLC37A4 (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8976464 0.75 MAPT (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13317458 0.74 SLC37A4 (0.58) MAPTMEN1KMT2AALDH1A1KDM4E

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-7763740-B2 Method for the production of mumbaistatin derivatives SANOFI-AVENTIS (FR) 2010-07-27 US disclosed
US-20090156836-A1 METHOD FOR THE PRODUCTION OF MUMBAISTATIN DERIVATIVES SANOFI-AVENTIS (FR) 2009-06-18 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-20090156836-A1 METHOD FOR THE PRODUCTION OF MUMBAISTATIN DERIVATIVES MMAB, MLYCD, HMBS MAPT 4145/4885MEN1 5/4885KMT2A 924/4885

“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.