Sugi Predict

Sugi Predict / Compounds / SCHEMBL3299183

SCHEMBL3299183

SCHEMBL3299183

COCOc1ccc(C(=O)/C=C/c2ccc(OCOC)c(CC=C(C)C)c2)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.71
▸ PTPN1 P18031 6/20 0.62
▸ MAOB P27338 4/20 0.58
▸ ABCG2 Q9UNQ0 3/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ AKT1 P31749 1/20 0.53
▸ ALOX5 P09917 1/20 0.53
▸ MGAM O43451 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ XDH P47989 1/20 0.53
▸ CTSL P07711 1/20 0.52
▸ MAPT P10636 4/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ APP P05067 1/20 0.51

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
SCHEMBL3299185 1.00 CYP19A1 (0.71) CYP19A1PTPN1MAOBABCG2FLT3
SCHEMBL30383159 1.00 CYP19A1 (0.71) CYP19A1PTPN1MAOBABCG2FLT3
SCHEMBL3305922 0.96 CYP19A1 (0.72) CYP19A1PTPN1MAOBABCG2FLT3
SCHEMBL3305925 0.96 CYP19A1 (0.72) CYP19A1PTPN1MAOBABCG2FLT3
SCHEMBL30384161 0.96 CYP19A1 (0.72) CYP19A1PTPN1MAOBABCG2FLT3
SCHEMBL3305507 0.95 CYP19A1 (0.80) CYP19A1PTPN1MAOBABCG2FLT3
SCHEMBL30384003 0.95 CYP19A1 (0.80) CYP19A1PTPN1MAOBABCG2FLT3
SCHEMBL3305503 0.95 CYP19A1 (0.80) CYP19A1PTPN1MAOBABCG2FLT3
SCHEMBL25265263 0.87 CYP19A1 (0.56) CYP19A1PTPN1ABCG2AKT1ALOX5
SCHEMBL31233338 0.87 CYP19A1 (0.56) CYP19A1PTPN1ABCG2AKT1ALOX5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946287-B2 Chemotherapeutic flavonoids, and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2015-02-03 — — US disclosed
US-8946287-B2 Chemotherapeutic flavonoids, and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2015-02-03 — — US disclosed
US-8946287-B2 Chemotherapeutic flavonoids, and syntheses thereof PURDUE RESEARCH FOUNDATION (US) 2015-02-03 — — US disclosed
US-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2010-04-22 — — US disclosed
US-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2010-04-22 — — US disclosed
US-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2010-04-22 — — US disclosed
WO-2008076767-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2008-06-26 — — WO 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-20100099755-A1 CHEMOTHERAPEUTIC FLAVONOIDS, AND SYNTHESES THEREOF NRAS, FAU, DPYD CYP19A1 104/4885PTPN1 4272/4885MAOB 277/4885

“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.