SCHEMBL7072657

SCHEMBL7072657

O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(Oc3cc(O)cc4oc(-c5ccc(O)cc5)cc(=O)c34)c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.71
▸ MAPT P10636 7/20 0.71
▸ KDM4E B2RXH2 6/20 0.71
▸ CYP3A4 P08684 6/20 0.71
▸ MEN1 O00255 6/20 0.71
▸ ALDH1A1 P00352 5/20 0.71
▸ MAPK1 P28482 5/20 0.71
▸ TP53 P04637 4/20 0.71
▸ CYP2D6 P10635 4/20 0.71
▸ CYP2C9 P11712 4/20 0.71
▸ CYP2C19 P33261 4/20 0.71
▸ HSD17B10 Q99714 4/20 0.71
▸ CYP1A1 P04798 4/20 0.71
▸ CYP1B1 Q16678 4/20 0.71
▸ IP6K2 Q9UHH9 4/20 0.71
▸ FLT3 P36888 4/20 0.71
▸ GABRP O00591 4/20 0.71
▸ GABRD O14764 4/20 0.71
▸ GABRA1 P14867 4/20 0.71
▸ GABRB1 P18505 4/20 0.71

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
SCHEMBL2874033 0.89 POLH (0.79) KMT2AMAPTKDM4ECYP3A4MEN1
SCHEMBL14917316 0.87 POLH (0.81) KMT2AMAPTKDM4ECYP3A4MEN1
Apigenin SCHEMBL29351464 0.83 KMT2A (1.00) KMT2AMAPTKDM4ECYP3A4MEN1
Apigenin SCHEMBL19428 0.83 KMT2A (1.00) KMT2AMAPTKDM4ECYP3A4MEN1
Apigenin SCHEMBL5083245 0.83 KMT2A (1.00) KMT2AMAPTKDM4ECYP3A4MEN1
Apigenin SCHEMBL31168790 0.82 KMT2A (0.97) KMT2AMAPTKDM4ECYP3A4MEN1
Apigenin SCHEMBL29872582 0.82 KMT2A (0.97) KMT2AMAPTKDM4ECYP3A4MEN1
Apigenin SCHEMBL31477961 0.82 KMT2A (0.97) KMT2AMAPTKDM4ECYP3A4MEN1
Apigenin SCHEMBL1658882 0.82 KMT2A (0.97) KMT2AMAPTKDM4ECYP3A4MEN1
Apigenin SCHEMBL29458838 0.82 KMT2A (0.97) KMT2AMAPTKDM4ECYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007528-B1 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF ADVANCED LIFE SCIENCES INC (US) 2003-11-26 — — EP disclosed
EP-1007528-B1 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF ADVANCED LIFE SCIENCES INC (US) 2003-11-26 — — EP disclosed
US-6225481-B1 REACTING 6-IODO-5,7,4'-TRIMETHOXYFLAVONE AND 5,7-4'-TRIMETHOXY-3'-(TRIMETHYLSTANNYL)FLAVONE IN PRESENCE OF PALLADIUM COMPOUND AND BASE TO PRODUCE ROBUSTAFLAVONE HEXAMETHYL ETHER, DEMETHYLATING TO PRODUCE ROBUSTAFLAVONE ADVANCED LIFE SCIENCES, INC. 2001-05-01 — — US disclosed
US-6225481-B1 REACTING 6-IODO-5,7,4'-TRIMETHOXYFLAVONE AND 5,7-4'-TRIMETHOXY-3'-(TRIMETHYLSTANNYL)FLAVONE IN PRESENCE OF PALLADIUM COMPOUND AND BASE TO PRODUCE ROBUSTAFLAVONE HEXAMETHYL ETHER, DEMETHYLATING TO PRODUCE ROBUSTAFLAVONE ADVANCED LIFE SCIENCES, INC. 2001-05-01 — — US disclosed
CN-1274354-A Robustaflavone, intermediates and analogues and method for prepn. method MEDICHEM RES INC (US) 2000-11-22 — — CN disclosed
EP-1007528-A2 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF MEDICHEM RESEARCH, INC. (US) 2000-06-14 — — EP disclosed
EP-1007528-A2 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF MEDICHEM RESEARCH, INC. (US) 2000-06-14 — — EP disclosed
WO-1999010292-A3 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF MEDICHEM RES INC (US) 1999-06-17 — — WO disclosed
WO-1999010292-A2 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF MEDICHEM RESEARCH, INC. (US) 1999-03-04 — — WO disclosed
WO-1999010292-A2 ROBUSTAFLAVONE, INTERMEDIATES AND ANALOGUES AND METHOD FOR PREPARATION THEREOF MEDICHEM RESEARCH, INC. (US) 1999-03-04 — — WO disclosed
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