SCHEMBL1889846

SCHEMBL1889846

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
BCL2L1 Q07817 2/20 0.42
DAO P14920 1/20 0.40
DHODH Q02127 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN9 P43378 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN11 Q06124 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
AR P10275 2/20 0.38
TOP2A P11388 2/20 0.38
TOP2B Q02880 2/20 0.38
CHRM5 P08912 3/20 0.36
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ESR1 P03372 2/20 0.34
BCL2 P10415 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
SCHEMBL1894774 0.84 DAO (0.42) GPR84BCL2L1DAODHODHBCL2
SCHEMBL1893025 0.81 BCL2 (0.50) GPR84BCL2L1DAOACHEESR1
SCHEMBL1889138 0.76 PGAM1 (0.45) GPR84BCL2L1BCL2MCL1BCL2A1
SCHEMBL1891842 0.70 BCL2 (0.37) BCL2L1ACHEESR1BCL2MCL1
SCHEMBL1885850 0.69 ESR1 (0.40) PTPN1ESR1BCL2MCL1
SCHEMBL1890942 0.68 BCL2 (0.37) ACHEESR1BCL2MCL1
SCHEMBL9062148 0.66 TSHR (0.53) GPR84DAOBCHEACHE
SCHEMBL7729335 0.65 GPR84 (0.59) GPR84DAOESR1
SCHEMBL9061480 0.65 BCHE (0.56) GPR84DAOBCHEACHE
SCHEMBL19424216 0.65 BCL2 (0.40) BCL2L1ACHEESR1BCL2MCL1

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 GPR84 4284/4885BCL2L1 195/4885DAO 4646/4885

“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.