SCHEMBL4037404

SCHEMBL4037404

COc1cc(C2CC(=O)c3c(ccc4ccccc34)O2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ABCG2 Q9UNQ0 5/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
TAS2R31 P59538 1/20 0.51
PKM P14618 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ABCB1 P08183 3/20 0.48
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
BLM P54132 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.46
CYP1A1 P04798 1/20 0.46

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
SCHEMBL4048956 0.82 CYP19A1 (0.67) KDM4EALDH1A1HPGDHSD17B10ABCG2
SCHEMBL31452750 0.78 TAS2R31 (0.62) KDM4EALDH1A1HPGDHSD17B10ABCG2
SCHEMBL13596943 0.75 KDM4E (0.46) KDM4EALDH1A1ABCB1MEN1MAPT
SCHEMBL4040300 0.75 KDM4E (0.46) KDM4EALDH1A1ABCB1MEN1MAPT
SCHEMBL10425231 0.75 ABCG2 (0.70) KDM4EALDH1A1HPGDHSD17B10ABCG2
SCHEMBL8064374 0.75 CYP19A1 (0.56) KDM4EALDH1A1HPGDHSD17B10ABCG2
SCHEMBL16894615 0.75 ALDH1A1 (0.73) KDM4EALDH1A1HPGDHSD17B10ABCG2
SCHEMBL31322130 0.75 ALDH1A1 (0.73) KDM4EALDH1A1HPGDHSD17B10ABCG2
SCHEMBL4050327 0.74 ABCG2 (0.50) KDM4EALDH1A1HPGDHSD17B10ABCG2
SCHEMBL5084370 0.73 CYP1A1 (0.77) KDM4EALDH1A1HPGDHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638554-B2 Flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2009-12-29 US disclosed
US-7638554-B2 Flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2009-12-29 US disclosed
US-7638554-B2 Flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2009-12-29 US disclosed
EP-1495014-B1 FLAVANOIDS DERIVATIVES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS STANFORD RES INST INT (US) 2009-07-29 EP disclosed
US-7329687-B2 Flavanoid compounds as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2008-02-12 US disclosed
US-7329687-B2 Flavanoid compounds as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2008-02-12 US disclosed
US-7329687-B2 Flavanoid compounds as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2008-02-12 US disclosed
US-20060264500-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2006-11-23 US disclosed
EP-1495014-A2 NOVEL FLAVANOIDS AND CHALCONES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS Sri International (US) 2005-01-12 EP disclosed
US-20040029914-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL 2004-02-12 US disclosed
US-20030229136-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL 2003-12-11 US disclosed
WO-2003089423-A2 NOVEL FLAVANOIDS AND CHALCONES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS SRI INTERNATIONAL (US) 2003-10-30 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 (3 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-20060264500-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents FLT1, CCNE1, CCNA1 KDM4E 1979/4885ALDH1A1 229/4885HPGD 245/4885
US-20040029914-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents FLT1, VEGFA, FLT4 KDM4E 1122/4885ALDH1A1 175/4885HPGD 224/4885
US-20030229136-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents FLT1, VEGFA, FLT4 KDM4E 1314/4885ALDH1A1 154/4885HPGD 236/4885

“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.