SCHEMBL2622257

SCHEMBL2622257

Cc1cc2c(C(C)C)c(O)c(O)c3c2c(c1-c1c(C)cc2c(C(C)C)c(O)c(O)c4c2c1OC41SCCCS1)OC31SCCCS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 2/20 0.41
▸ AKR1B1 P15121 12/20 0.41
▸ MCL1 Q07820 5/20 0.41
▸ LDHA P00338 5/20 0.41
▸ LDHB P07195 5/20 0.41
▸ BCL2 P10415 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ BLM P54132 2/20 0.41

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
SCHEMBL13446156 0.96 MCL1 (0.40) ALBAKR1B1MCL1LDHALDHB
SCHEMBL2622252 0.64 AKR1B1 (0.64) ALBAKR1B1MCL1LDHALDHB
SCHEMBL2622255 0.64 ALB (0.51) ALBAKR1B1MCL1LDHALDHB
SCHEMBL13446157 0.63 ALB (0.47) ALBAKR1B1MCL1LDHALDHB
SCHEMBL2622247 0.61 ALB (0.63) ALBAKR1B1MCL1LDHALDHB
Gossypol SCHEMBL6661301 0.61 MCL1 (0.79) ALBAKR1B1MCL1LDHALDHB
SCHEMBL2622254 0.61 AKR1B1 (0.46) ALBAKR1B1MCL1LDHALDHB
Gossypol SCHEMBL28826838 0.61 MCL1 (0.92) ALBAKR1B1MCL1LDHALDHB
SCHEMBL10820453 0.59 ALB (1.00) ALBAKR1B1MCL1LDHALDHB
SCHEMBL2622249 0.59 AKR1B1 (0.72) ALBAKR1B1MCL1LDHALDHB

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-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-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 (2 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 4624/4885AKR1B1 1880/4885MCL1 34/4885
US-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 ALB 4624/4885AKR1B1 1880/4885MCL1 34/4885

“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.

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