SCHEMBL3287975

SCHEMBL3287975

Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(/C=C3/SC(=O)NC3=O)cc1)O2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HPGD P15428 5/20 0.53
PARP1 P09874 1/20 0.53
PIM1 P11309 3/20 0.48
PIM2 Q9P1W9 3/20 0.48
PPARG P37231 1/20 0.48
GPR35 Q9HC97 1/20 0.46
CISD1 Q9NZ45 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PTGS2 P35354 1/20 0.43
AKR1B1 P15121 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3146466 1.00 MEN1 (0.61) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL13256846 1.00 MEN1 (0.61) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL5674718 1.00 MEN1 (0.61) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL5674716 1.00 MEN1 (0.61) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL7836423 0.92 HPGD (0.56) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL16282035 0.92 HPGD (0.56) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL3284122 0.91 MAPT (0.59) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL6970021 0.88 MEN1 (0.50) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL6970017 0.88 MEN1 (0.50) MEN1MAPTKMT2ATDP1HPGD
SCHEMBL7828846 0.88 HPGD (0.49) MEN1MAPTKMT2ATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309582-B2 Small molecule Bcl-Xl/Bcl-2 binding inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-11-13 US disclosed
US-20100168184-A1 SMALL MOLECULE BCL-X1/BCL-2 BINDING INHIBITORS NATIONAL INSTITUTES OF HEALTH 2010-07-01 US disclosed
US-7714005-B2 Small molecule Bcl-xL/Bcl-2 binding inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-05-11 US disclosed
US-7566787-B2 Small molecule cyclin D1 ablative agents THE OHIO STATE UNIVERSITY (US) 2009-07-28 US disclosed
US-20060252802-A1 Small molecule cyclin D1 ablative agents NIH - DEITR 2006-11-09 US disclosed
US-20060252801-A1 Small molecule Bcl-xL/Bcl-2 binding inhibitors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-11-09 US disclosed
WO-2006069186-A2 SMALL MOLECULE BCL-XL/BCL-2 BINDING INHIBITORS THE OHIO STATE RESEARCH FOUNDATION (US) 2006-06-29 WO disclosed
WO-2006069217-A2 SMALL MOLECULE CYCLIN D1 ABLATIVE AGENTS THE OHIO STATE RESEARCH FOUNDATION (US) 2006-06-29 WO 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 (3 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-20060252801-A1 Small molecule Bcl-xL/Bcl-2 binding inhibitors BCL2L1, BCL2, BCL2L2 MEN1 2209/4885MAPT 4165/4885KMT2A 2158/4885
US-20060252802-A1 Small molecule cyclin D1 ablative agents CDK4, CCNK, CCNA1 MEN1 3068/4885MAPT 4563/4885KMT2A 504/4885
US-20100168184-A1 SMALL MOLECULE BCL-X1/BCL-2 BINDING INHIBITORS BCL2, BCL2L1, BCL2A1 MEN1 2017/4885MAPT 4332/4885KMT2A 2299/4885

“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.