SCHEMBL13446156

SCHEMBL13446156

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.40
▸ BCL2 P10415 4/20 0.40
▸ ALB P02768 2/20 0.39
▸ AKR1B1 P15121 12/20 0.38
▸ LDHA P00338 5/20 0.38
▸ LDHB P07195 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ BLM P54132 2/20 0.38

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
SCHEMBL2622257 0.96 ALB (0.41) MCL1BCL2ALBAKR1B1LDHA
SCHEMBL13446157 0.67 ALB (0.47) MCL1BCL2ALBAKR1B1LDHA
SCHEMBL2622252 0.62 AKR1B1 (0.64) MCL1BCL2ALBAKR1B1LDHA
SCHEMBL2622255 0.62 ALB (0.51) MCL1BCL2ALBAKR1B1LDHA
SCHEMBL685378 0.60 MCL1 (0.89) MCL1BCL2ALBAKR1B1LDHA
SCHEMBL2622247 0.59 ALB (0.63) MCL1BCL2ALBAKR1B1LDHA
Gossypol SCHEMBL6661301 0.58 MCL1 (0.79) MCL1BCL2ALBAKR1B1LDHA
SCHEMBL2622254 0.58 AKR1B1 (0.46) MCL1BCL2ALBAKR1B1LDHA
Gossypol SCHEMBL28826838 0.58 MCL1 (0.92) MCL1BCL2ALBAKR1B1LDHA
SCHEMBL20243430 0.58 MCL1 (0.90) MCL1BCL2ALBAKR1B1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-18 — — 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 (1 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-20100069344-A1 SMALL MOLECULE ANTAGONISTS OF BCL2 FAMILY PROTEINS BCL2L1, BCL2, BCL2L11 MCL1 45/4885BCL2 2/4885ALB 4693/4885

“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.

Send feedback