SCHEMBL1894774

SCHEMBL1894774

CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccc(C)cc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccc(C)cc3)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.42
BCL2 P10415 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BCL2A1 Q16548 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
BACE1 P56817 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
DHODH Q02127 1/20 0.34
ACLY P53396 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SLC37A4 O43826 1/20 0.33
LCK P06239 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL1893025 0.90 BCL2 (0.50) DAOBCL2MCL1BCL2L1BCL2A1
SCHEMBL1889846 0.84 GPR84 (0.43) DAOBCL2MCL1BCL2L1BCL2A1
SCHEMBL1889013 0.84 PTGS1 (0.40) DAOBCL2MCL1BCL2L1IGF1R
SCHEMBL1889138 0.83 PGAM1 (0.45) BCL2MCL1BCL2L1BCL2A1GPR84
SCHEMBL1887255 0.78 LMNA (0.36) BCL2MCL1ACLYSLC37A4
SCHEMBL1892299 0.77 SLC37A4 (0.43) BCL2MCL1BCL2L1BCL2A1CYP1A2
SCHEMBL1885850 0.76 ESR1 (0.40) BCL2MCL1ACLYSLC37A4
SCHEMBL1890942 0.75 BCL2 (0.37) BCL2MCL1ALOX15ACLYSLC37A4
SCHEMBL1891842 0.75 BCL2 (0.37) BCL2MCL1BCL2L1BCL2A1ALOX15
SCHEMBL1887037 0.71 ALOX5 (0.39) BCL2MCL1BCL2L1BCL2A1ACLY

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 DAO 4646/4885BCL2 142/4885MCL1 34/4885

“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.