SCHEMBL12664482

SCHEMBL12664482

COc1cc2cc(C)c(-c3c(C)cc4cc(C)c(C)cc4c3OC)c(OC)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.42
PDE1A P54750 6/20 0.40
PDE1B Q01064 6/20 0.40
PDE3B Q13370 6/20 0.40
PDE1C Q14123 6/20 0.40
PDE3A Q14432 6/20 0.40
PDE5A O76074 3/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40

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
SCHEMBL354548 0.96 RAD52 (0.44) RAD52PDE1APDE1BPDE3BPDE1C
SCHEMBL7200688 0.77 TUBB1 (0.45) RAD52PDE1APDE1BPDE3BPDE1C
SCHEMBL811100 0.75 ALDH1A1 (0.52) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7129430 0.74 TUBB1 (0.50) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL811025 0.73 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8037059 0.71 AKR1B1 (0.42) PDE3BPDE3AMAPTTUBB4ATUBB
SCHEMBL353813 0.70 AKR1B1 (0.51) PDE3BPDE3AMAPTTUBB4ATUBB
SCHEMBL2622282 0.70 PDE3B (0.43) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL355474 0.69 AKR1B1 (0.50) KDM4EMAPTTUBB4ATUBBTUBA3C
SCHEMBL2622281 0.69 AKR1B1 (0.38) MAPTTUBB4ATUBBTUBA3CTUBA1B

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-8937193-B2 Apogossypolone derivatives as anticancer agents SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-01-20 US disclosed
US-20110112112-A1 APOGOSSYPOLONE DERIVATIVES AS ANTICANCER AGENTS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-05-12 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-20110112112-A1 APOGOSSYPOLONE DERIVATIVES AS ANTICANCER AGENTS CYP17A1, HSD17B7, CYP27A1 RAD52 2597/4885PDE1A 4748/4885PDE1B 4659/4885

“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.