SCHEMBL2622263

SCHEMBL2622263

COc1c(-c2c(C)cc3c(C(C)C)c(O)c(O)c(CO)c3c2OC)c(C)cc2c(C(C)C)c(O)c(O)c(CO)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 16/20 1.00
ALB P02768 2/20 0.47
LDHA P00338 3/20 0.46
LDHB P07195 3/20 0.46
BCL2 P10415 3/20 0.46
MCL1 Q07820 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
AR P10275 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL2622249 0.84 AKR1B1 (0.72) AKR1B1ALBLDHALDHBBCL2
SCHEMBL2622253 0.77 AKR1B1 (1.00) AKR1B1ALBLDHALDHBBCL2
SCHEMBL2622260 0.77 AKR1B1 (1.00) AKR1B1ALBLDHALDHBBCL2
SCHEMBL22700667 0.76 MCL1 (0.69) AKR1B1ALBLDHALDHBBCL2
SCHEMBL2622268 0.75 AKR1B1 (0.60) AKR1B1ALBLDHALDHBBCL2
SCHEMBL2622244 0.70 AKR1B1 (0.54) AKR1B1ALBLDHALDHBBCL2
SCHEMBL22700470 0.69 AKR1B1 (0.85) AKR1B1ALBLDHALDHBBCL2
SCHEMBL19882795 0.69 MCL1 (0.81) AKR1B1ALBLDHALDHBBCL2
SCHEMBL22700385 0.69 AKR1B1 (0.93) AKR1B1ALBLDHALDHBBCL2
SCHEMBL30143399 0.69 MCL1 (0.57) AKR1B1ALBLDHALDHBBCL2

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 5 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-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-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

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 AKR1B1 1880/4885ALB 4624/4885LDHA 3274/4885
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS BCL2L1, BCL2, BCL2L11 AKR1B1 1397/4885ALB 4693/4885LDHA 2995/4885
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 AKR1B1 1880/4885ALB 4624/4885LDHA 3274/4885

“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.