SCHEMBL13857056

SCHEMBL13857056

COC(=O)c1c(OC)c(OC)c(C(C)C)c2c1C(=O)C(C1=C(C)C(=O)c3c(c(C(=O)OC)c(OC)c(OC)c3C(C)C)C1=O)=C(C)C2=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.32
IDO1 P14902 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
AKR1B1 P15121 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2622286 0.87 ALB (0.31) ALDH1A1AKR1B1
SCHEMBL13857053 0.69 LDHA (0.44) ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL1891221 0.66 EPHX2 (0.43) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL1144495 0.64 ALB (0.31) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL1144454 0.62 AKR1B1 (0.33) AKR1B1
SCHEMBL28199964 0.62 HPGD (0.40) ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL12664506 0.61 EPHX2 (0.43) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL27985775 0.60 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
Gossypolone SCHEMBL29407306 0.59 AKR1B1 (0.44) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL18878423 0.59 NPSR1 (0.49) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A

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 ALDH1A1 3558/4885HPGD 341/4885SMN1; SMN2 4764/4885

“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.