SCHEMBL2622271

SCHEMBL2622271

Cc1cc2c(C(C)C)c(O)c(O)c(C(=O)O)c2cc1-c1cc2c(C(=O)O)c(O)c(O)c(C(C)C)c2cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 5/20 1.00
LDHA P00338 14/20 0.84
LDHB P07195 13/20 0.84
MCL1 Q07820 3/20 0.45
BCL2 P10415 2/20 0.45
BCL2L1 Q07817 2/20 0.45
BCL2L2 Q92843 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
THRB P10828 2/20 0.45
HPGD P15428 2/20 0.45
ALOX12 P18054 2/20 0.45
MAPK1 P28482 2/20 0.45

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
SCHEMBL29555202 1.00 ALB (1.00) ALBLDHALDHBMCL1BCL2
SCHEMBL7173943 0.92 LDHA (1.00) ALBLDHALDHBMCL1BCL2
SCHEMBL2622272 0.79 ALB (0.65) ALBLDHALDHBMCL1KDM4E
SCHEMBL7183463 0.78 LDHA (1.00) ALBLDHALDHB
SCHEMBL29750641 0.77 LDHA (1.00) ALBLDHALDHB
SCHEMBL426471 0.77 LDHA (1.00) ALBLDHALDHB
SCHEMBL10820453 0.76 ALB (1.00) ALBLDHALDHBMCL1BCL2
SCHEMBL2622270 0.76 ALB (1.00) ALBLDHALDHBMCL1BCL2
SCHEMBL7180825 0.76 LDHA (0.86) ALBLDHALDHB
SCHEMBL7179527 0.76 LDHA (0.86) ALBLDHALDHBBCL2L1

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-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
US-5936120-A FOR TREATING HUMAN IMMMUNODEFICIENCY VIRUS INFECTION IN MAMMALS UNIVERSITY OF NEW MEXICO (US) 1999-08-10 US disclosed
US-5780675-A NONCYTOTOXIC; SAPONIFICATION, CYCLIZATION, REDUCTION, REHYDRATION; CATALYTIC HYDROGENOLYSIS THE UNIVERSITY OF NEW MEXICO (US) 1998-07-14 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 (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-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-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.