SCHEMBL460037

SCHEMBL460037

O[C@@H]1Cc2ccccc2O[C@@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
HSP90AB1 P08238 1/20 0.47
SYNJ2 O15056 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
MAOB P27338 6/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CYP19A1 P11511 1/20 0.42
SLC18A3 Q16572 3/20 0.41

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
SCHEMBL9019698 1.00 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL30775720 1.00 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL30775787 1.00 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL29355417 1.00 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL1659938 1.00 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL30775723 1.00 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL18746282 1.00 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL460038 1.00 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL1659934 1.00 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL1660720 1.00 CYP3A4 (0.48) CYP3A4KDM4EHSD17B10MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488010-B1 MANIPULATION OF FLAVONOID BIOSYNTHETIC PATHWAY AGRICULTURE VICTORIA SERV PTY (AU) 2017-12-06 EP disclosed
US-20160138034-A1 Novel Genes Involved In Biosynthesis GRASSLANZ TECHNOLOGY LIMITED (NZ) 2016-05-19 US disclosed
US-9200292-B2 MYB14 sequences and uses thereof for flavonoid biosynthesis GRASSLANZ TECHNOLOGY LIMITED (NZ) 2015-12-01 US disclosed
US-9187448-B2 Flavonoid compounds CARDERO THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-9187448-B2 Flavonoid compounds CARDERO THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-9051380-B2 MYB14 sequences and uses thereof for flavonoid biosynthesis GRASSLANZ TECHNOLOGY LIMITED (NZ) 2015-06-09 US disclosed
EP-2294200-B1 NOVEL GENES INVOLVED IN BIOSYNTHESIS GRASSLANZ TECHNOLOGY LTD (NZ) 2015-03-04 EP disclosed
US-20140256741-A1 FLAVONOID COMPOUNDS CARDERO THERAPEUTICS, INC. (US) 2014-09-11 US disclosed
US-20140256741-A1 FLAVONOID COMPOUNDS CARDERO THERAPEUTICS, INC. (US) 2014-09-11 US disclosed
WO-2013022846-A2 FLAVONOID COMPOUNDS CARDERO THERAPEUTICS, INC. (US) 2013-02-14 WO disclosed
US-8273950-B2 Polynucleotides encoding phenylpropanoid and flavonoid biosynthetic pathway enzymes in coffee NESTEC S. A. (CH) 2012-09-25 US disclosed
US-20120204289-A1 Manipulation of flavonoid biosynthetic pathway AGRICULTURE VICTORIA SERVICES PTY LTD. (AU) 2012-08-09 US disclosed
US-20120066792-A1 Novel Genes Involved In Biosynthesis GRASSLANZ TECHNOLOGY LIMITED (NZ) 2012-03-15 US disclosed
US-20110179528-A1 NOVEL GENES INVOLVED IN BIOSYNTHESIS GRASSLANZ TECHNOLOGY LIMITED (NZ) 2011-07-21 US disclosed
EP-2294200-A1 NOVEL GENES INVOLVED IN BIOSYNTHESIS Grasslanz Technology Limited (NZ) 2011-03-16 EP disclosed
US-20100037357-A1 Polynucleotides Encoding Phenylpropanoid and Falvonoid Biosynthetic Pathway Enzymes in Coffee NESTEC S.A. (CH) 2010-02-11 US disclosed
WO-2009148336-A1 NOVEL GENES INVOLVED IN BIOSYNTHESIS GRASSLANZ TECHNOLOGY LIMITED (NZ) 2009-12-10 WO disclosed
EP-1937803-A2 POLYNUCLEOTIDES ENCODING PHENYLPROPANOID AND FLAVONOID BIOSYNTHETIC PATHWAY ENZYMES IN COFFEE Cornell University (US) 2008-07-02 EP disclosed
WO-2007044992-A2 POLYNUCLEOTIDES ENCODING PHENYLPROPANOID AND FLAVONOID BIOSYNTHETIC PATHWAY ENZYMES IN COFFEE CORNELL UNIVERSITY (US) 2007-04-19 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-20110179528-A1 NOVEL GENES INVOLVED IN BIOSYNTHESIS MYB, MYBBP1A, PHAX CYP3A4 2756/4885KDM4E 295/4885HSD17B10 3563/4885
US-20120066792-A1 Novel Genes Involved In Biosynthesis MYB, MYBBP1A, PHAX CYP3A4 2756/4885KDM4E 295/4885HSD17B10 3563/4885
US-20140256741-A1 FLAVONOID COMPOUNDS FIS1, TFAM, MFN2 CYP3A4 3740/4885KDM4E 1854/4885HSD17B10 569/4885

“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.