SCHEMBL13917710

SCHEMBL13917710

COC(=O)c1c(OC(C)=O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(OC(C)=O)c(OC(C)=O)c(C#N)c4c3C)c(C)c2c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 14/20 0.56
▸ LDHA P00338 2/20 0.56
▸ LDHB P07195 2/20 0.56
▸ POLB P06746 2/20 0.40
▸ ALB P02768 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MCL1 Q07820 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HSPD1 P10809 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL14017957 0.94 AKR1B1 (0.56) AKR1B1LDHALDHBPOLBALB
SCHEMBL2622250 0.91 AKR1B1 (0.66) AKR1B1LDHALDHBPOLBALB
SCHEMBL13446155 0.87 AKR1B1 (0.62) AKR1B1LDHALDHBPOLBALB
SCHEMBL2622251 0.68 AKR1B1 (0.71) AKR1B1LDHALDHBPOLBALB
SCHEMBL2622273 0.66 AKR1B1 (0.48) AKR1B1LDHALDHBPOLBALB
Gossypol Acetic Acid SCHEMBL31607468 0.66 AKR1B1 (0.64) AKR1B1LDHALDHBPOLBALB
Gossypol Acetic Acid SCHEMBL29699445 0.66 AKR1B1 (0.64) AKR1B1LDHALDHBPOLBALB
SCHEMBL2622260 0.62 AKR1B1 (1.00) AKR1B1LDHALDHBPOLBALB
SCHEMBL12554423 0.60 POLB (0.77) POLBALDH1A1GAAHPGDKDM4E
SCHEMBL22700785 0.60 ALB (0.68) AKR1B1LDHALDHBPOLBALB

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-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2009-03-26 — — 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-20090082424-A1 SMALL MOLECULE ANTAGONISTS OF BCL-2 FAMILY PROTEINS BCL2, BCL2L1, BCL2L2 AKR1B1 1880/4885LDHA 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.

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