SCHEMBL2955404

SCHEMBL2955404

Cc1c(C(=O)OC(C)(C)C)c(O)cc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.47
MCL1 Q07820 3/20 0.47
MAPT P10636 3/20 0.43
LCK P06239 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
THRB P10828 1/20 0.43
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
TTR P02766 2/20 0.42
PKLR P30613 6/20 0.40
MITF O75030 1/20 0.40
PGAM1 P18669 3/20 0.40
GRM6 O15303 1/20 0.40
ELANE P08246 1/20 0.39
MEN1 O00255 1/20 0.39
MAOA P21397 1/20 0.39
KMT2A Q03164 1/20 0.39
PDK4 Q16654 1/20 0.39
PTPN1 P18031 2/20 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
SCHEMBL2957879 0.89 MEN1 (0.52) MAPTALDH1A1THRBTTRELANE
SCHEMBL2957671 0.85 MAPT (0.44) MAPTLCKALDH1A1GLATHRB
SCHEMBL4460906 0.80 BCL2 (0.44) BCL2MCL1MAPTLCKALDH1A1
SCHEMBL23724050 0.76 ALDH1A1 (0.49) MAPTALDH1A1THRBTTRELANE
SCHEMBL2958068 0.74 ELANE (0.49) MAPTALDH1A1TTRMITFELANE
Aloesaponarin I SCHEMBL29657074 0.74 ITGA2 (0.57) MAPTALDH1A1THRBTTRELANE
Aloesaponarin I SCHEMBL13317456 0.74 ITGA2 (0.57) MAPTALDH1A1THRBTTRELANE
SCHEMBL3174840 0.74 BCL2 (0.71) BCL2MCL1MAPTLCKALDH1A1
SCHEMBL8976457 0.72 MAPT (0.55) MAPTALDH1A1THRBMITFMEN1
SCHEMBL23198952 0.72 MAPT (0.61) BCL2MCL1MAPTLCKALDH1A1

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 BCL2 1218/4885MCL1 58/4885MAPT 4145/4885

“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.