SCHEMBL1890127

SCHEMBL1890127

CCc1ccc(CCN(CCc2ccc(CC)cc2)C(=O)c2c(O)c(O)cc3c2C(=O)C(C)=C(C2=C(C)C(=O)c4c(cc(O)c(O)c4C(N)=O)C2=O)C3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.38
BCL2 P10415 2/20 0.38
MCL1 Q07820 2/20 0.38
BCL2A1 Q16548 2/20 0.38
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 2/20 0.32
DNMT1 P26358 2/20 0.32
DNMT3A Q9Y6K1 1/20 0.32
GPR35 Q9HC97 1/20 0.31
EGFR P00533 1/20 0.31
CA12 O43570 4/20 0.31
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA4 P22748 4/20 0.31
SLC37A4 O43826 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 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
SCHEMBL355372 0.76 BCL2L1 (0.61) BCL2L1BCL2MCL1BCL2A1
SCHEMBL1894774 0.68 DAO (0.42) BCL2L1BCL2MCL1BCL2A1CA1
SCHEMBL1889138 0.67 PGAM1 (0.45) BCL2L1BCL2MCL1BCL2A1SLC37A4
SCHEMBL1893025 0.66 BCL2 (0.50) BCL2L1BCL2MCL1BCL2A1HPGD
SCHEMBL1889846 0.64 GPR84 (0.43) BCL2L1BCL2MCL1BCL2A1
SCHEMBL16384433 0.64 ALDH1A1 (0.47) HPGDMEN1KMT2AALDH1A1HSD17B10
SCHEMBL355460 0.63 LMNA (0.37) BCL2L1BCL2MCL1BCL2A1MEN1
SCHEMBL16384445 0.61 BCL2 (0.60) BCL2L1BCL2MCL1BCL2A1MAPT
SCHEMBL1885850 0.61 ESR1 (0.40) BCL2MCL1SLC37A4KDM4EMAPT
SCHEMBL1890983 0.60 EGFR (0.42) BCL2L1BCL2MCL1BCL2A1HPGD

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-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 BCL2L1 195/4885BCL2 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.