SCHEMBL1889013

SCHEMBL1889013

CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCCc3ccc(F)cc3)C2=O)C(=O)c2cc(O)c(O)c(CCCc3ccc(F)cc3)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
BCL2L1 Q07817 1/20 0.39
DAO P14920 1/20 0.36
SLC28A3 Q9HAS3 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
SLC37A4 O43826 1/20 0.34
PGAM1 P18669 1/20 0.34
XBP1 P17861 1/20 0.33
HIF1A Q16665 1/20 0.33
AKR1B10 O60218 1/20 0.32

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
SCHEMBL1889138 0.88 PGAM1 (0.45) BCL2L1ALOX15SLC37A4PGAM1BCL2
SCHEMBL1894774 0.84 DAO (0.42) BCL2L1DAOALOX15SLC5A1SLC5A2
SCHEMBL1893025 0.81 BCL2 (0.50) BCL2L1DAOMAPTALOX15KDM4E
SCHEMBL1889846 0.78 GPR84 (0.43) BCL2L1DAOARBCL2MCL1
SCHEMBL1887255 0.75 LMNA (0.36) PTGS1PTGS2LMNAMAPTKDM4E
SCHEMBL1892299 0.74 SLC37A4 (0.43) BCL2L1MAPTKDM4EMAPK1HTT
SCHEMBL1885850 0.73 ESR1 (0.40) MAPTKDM4EMAPK1HTTSLC37A4
SCHEMBL1890942 0.72 BCL2 (0.37) MAPTALOX15KDM4EMAPK1HSD17B10
SCHEMBL1891842 0.72 BCL2 (0.37) BCL2L1LMNAMAPTALOX15KDM4E
SCHEMBL1887037 0.68 ALOX5 (0.39) BCL2L1HSD17B10BCL2MCL1

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 PTGS1 239/4885PTGS2 1282/4885BCL2L1 195/4885

“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.