SCHEMBL13857053

SCHEMBL13857053

CC1=C(C2=C(C)C(=O)c3c(c(C(=O)O)c(O)c(O)c3C(C)C)C2=O)C(=O)c2c(C(=O)O)c(O)c(O)c(C(C)C)c2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 10/20 0.44
LDHB P07195 9/20 0.44
ALB P02768 4/20 0.43
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HSPD1 P10809 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
VCP P55072 1/20 0.31

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
SCHEMBL1144495 0.83 ALB (0.31) LDHALDHBALBKDM4EMEN1
Gossypolone SCHEMBL29407306 0.76 AKR1B1 (0.44) LDHALDHBALBKDM4EMEN1
Gossypolone SCHEMBL2622243 0.76 AKR1B1 (0.44) LDHALDHBALBKDM4EMEN1
SCHEMBL1144454 0.73 AKR1B1 (0.33)
SCHEMBL12856168 0.71
SCHEMBL1143986 0.69
SCHEMBL13857056 0.69 ALDH1A1 (0.33) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL22700493 0.68 AKR1B1 (0.38) LDHALDHBALBKDM4EMEN1
SCHEMBL1890983 0.68 EGFR (0.42) ALBKDM4EMEN1NPC1USP2
SCHEMBL12856175 0.67 TYR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118377-A1 APOGOSSYPOLONE AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
US-20090118377-A1 APOGOSSYPOLONE AND THE USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 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 (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-20090118377-A1 APOGOSSYPOLONE AND THE USES THEREOF BCL2, BAD, BAX LDHA 4346/4885LDHB 3645/4885ALB 4294/4885

“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.