SCHEMBL2622286

SCHEMBL2622286

COc1c(OC)c(C(C)C)c2c(c1C(=O)O)C(=O)C(C1=C(C)C(=O)c3c(c(C(=O)O)c(OC)c(OC)c3C(C)C)C1=O)=C(C)C2=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AKR1B1 P15121 3/20 0.31

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
SCHEMBL13857056 0.87 ALDH1A1 (0.33) ALDH1A1AKR1B1
SCHEMBL13857053 0.79 LDHA (0.44) ALBLDHALDHBKDM4EALDH1A1
SCHEMBL1144495 0.68 ALB (0.31) ALBLDHALDHBKDM4EALDH1A1
SCHEMBL7186216 0.66 LDHA (0.62) ALBLDHALDHBKDM4EALDH1A1
SCHEMBL1144454 0.66 AKR1B1 (0.33) AKR1B1
SCHEMBL29141732 0.63 HSD17B10 (0.54) KDM4EALDH1A1HSD17B10
SCHEMBL2622272 0.63 ALB (0.65) ALBLDHALDHBKDM4EALDH1A1
SCHEMBL8460263 0.63 LDHA (0.65) ALBLDHALDHBKDM4EALDH1A1
Gossypolone SCHEMBL2622243 0.63 AKR1B1 (0.44) ALBLDHALDHBKDM4EALDH1A1
Gossypolone SCHEMBL29407306 0.63 AKR1B1 (0.44) ALBLDHALDHBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163805-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-24 US disclosed
US-8163805-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-24 US disclosed
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-18 US disclosed
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-18 US disclosed
US-20090118377-A1 APOGOSSYPOLONE AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
US-20090118377-A1 APOGOSSYPOLONE AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
US-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS GEORGETOWN UNIVERSITY 2009-04-09 US disclosed
US-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS GEORGETOWN UNIVERSITY 2009-04-09 US disclosed
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2009-03-26 US disclosed
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2009-03-26 US disclosed
US-7432304-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-07 US disclosed
US-7432304-B2 Small molecule antagonists of Bcl-2 family proteins THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-07 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 (4 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-20090092684-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 ALB 4624/4885LDHA 3274/4885LDHB 3231/4885
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS BCL2L1, BCL2, BCL2L11 ALB 4693/4885LDHA 2995/4885LDHB 2689/4885
US-20090118377-A1 APOGOSSYPOLONE AND THE USES THEREOF BCL2, BAD, BAX ALB 4294/4885LDHA 4346/4885LDHB 3645/4885
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 ALB 4624/4885LDHA 3274/4885LDHB 3231/4885

“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.