SCHEMBL2622274

SCHEMBL2622274

COc1cc2c(O)c(-c3c(C)cc4c(C(C)C)c(OC)c(OC)cc4c3O)c(C)cc2c(C(C)C)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.58
BCL2 P10415 3/20 0.58
BCL2L1 Q07817 2/20 0.58
BCL2L2 Q92843 2/20 0.58
AKR1B1 P15121 9/20 0.54
ALB P02768 2/20 0.41
MAPT P10636 3/20 0.40
LDHA P00338 2/20 0.40
LDHB P07195 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
THRB P10828 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL29740136 1.00 MCL1 (0.58) MCL1BCL2BCL2L1BCL2L2AKR1B1
SCHEMBL12673487 0.96 MCL1 (0.54) MCL1BCL2BCL2L1BCL2L2AKR1B1
SCHEMBL30143404 0.88 MCL1 (0.66) MCL1BCL2BCL2L1BCL2L2AKR1B1
SCHEMBL30143399 0.87 MCL1 (0.57) MCL1BCL2BCL2L1BCL2L2AKR1B1
SCHEMBL30143382 0.86 MCL1 (0.69) MCL1BCL2BCL2L1BCL2L2AKR1B1
SCHEMBL353813 0.86 AKR1B1 (0.51) MCL1BCL2BCL2L1BCL2L2AKR1B1
SCHEMBL30143506 0.82 MCL1 (0.77) MCL1BCL2BCL2L1BCL2L2AKR1B1
SCHEMBL14959261 0.82 MCL1 (0.77) MCL1BCL2BCL2L1BCL2L2AKR1B1
SCHEMBL3786723 0.81 MAPT (0.42) MCL1BCL2BCL2L1BCL2L2AKR1B1
SCHEMBL12664476 0.81 AKR1B1 (0.47) MCL1BCL2BCL2L1BCL2L2AKR1B1

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 10 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

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 MCL1 34/4885BCL2 1/4885BCL2L1 2/4885
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS BCL2L1, BCL2, BCL2L11 MCL1 45/4885BCL2 2/4885BCL2L1 1/4885
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 MCL1 34/4885BCL2 1/4885BCL2L1 2/4885

“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.