SCHEMBL3304113

SCHEMBL3304113

COc1ccc(C(=O)/C=C/c2ccc(OC)c(CC=C(C)C)c2)c(O)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.86
ABCG2 Q9UNQ0 5/20 0.70
FLT3 P36888 1/20 0.70
PTPN1 P18031 3/20 0.67
CTSL P07711 2/20 0.66
APP P05067 4/20 0.63
MEN1 O00255 2/20 0.63
CYP3A4 P08684 2/20 0.63
MAPT P10636 2/20 0.63
MAPK1 P28482 2/20 0.63
KMT2A Q03164 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
CYP2C19 P33261 1/20 0.63
ALOX5 P09917 1/20 0.59
MAOB P27338 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58

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
SCHEMBL30383825 1.00 CYP19A1 (0.86) CYP19A1ABCG2FLT3PTPN1CTSL
SCHEMBL3304114 1.00 CYP19A1 (0.86) CYP19A1ABCG2FLT3PTPN1CTSL
SCHEMBL3307506 0.93 CYP19A1 (1.00) CYP19A1ABCG2FLT3PTPN1CTSL
SCHEMBL3307514 0.93 CYP19A1 (1.00) CYP19A1ABCG2FLT3PTPN1CTSL
SCHEMBL30383105 0.93 CYP19A1 (1.00) CYP19A1ABCG2FLT3PTPN1CTSL
SCHEMBL30384003 0.92 CYP19A1 (0.80) CYP19A1ABCG2FLT3PTPN1CTSL
SCHEMBL3305507 0.92 CYP19A1 (0.80) CYP19A1ABCG2FLT3PTPN1CTSL
SCHEMBL3305503 0.92 CYP19A1 (0.80) CYP19A1ABCG2FLT3PTPN1CTSL
SCHEMBL30383478 0.91 PTPN1 (0.79) CYP19A1ABCG2FLT3PTPN1CTSL
SCHEMBL3307176 0.91 PTPN1 (0.79) CYP19A1ABCG2FLT3PTPN1CTSL

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 8 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
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 104/4885ABCG2 7/4885FLT3 763/4885

“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.