SCHEMBL4151033

SCHEMBL4151033

CC(=O)Oc1cc(OC(C)=O)c2c(c1)OC(c1ccc(OC(C)=O)c(OC(C)=O)c1)CC2=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TAS2R31 P59538 1/20 0.53
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
ROR1 Q01973 1/20 0.48

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
SCHEMBL6013616 0.95 CYP3A4 (0.56) BCHEACHEALDH1A1CYP3A4MAPK1
SCHEMBL6726363 0.91 BCHE (0.69) BCHEACHEALDH1A1CYP3A4MAPK1
SCHEMBL29477373 0.91 BCHE (0.69) BCHEACHEALDH1A1CYP3A4MAPK1
SCHEMBL6726368 0.91 BCHE (0.69) BCHEACHEALDH1A1CYP3A4MAPK1
SCHEMBL31022637 0.91 BCHE (0.69) BCHEACHEALDH1A1CYP3A4MAPK1
SCHEMBL10005478 0.89 TAS2R31 (0.51) BCHEACHEALDH1A1CYP3A4MAPK1
SCHEMBL28381344 0.85 BCHE (0.57) BCHEACHEALDH1A1CYP3A4MAPK1
SCHEMBL23813679 0.82 BCHE (0.64) BCHEACHEALDH1A1CYP3A4MAPK1
SCHEMBL11641394 0.82 CYP3A4 (0.50) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL10005479 0.82 BCHE (0.58) BCHEACHEALDH1A1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 US claimed
US-8435571-B2 Extracts and compounds from “Agapanthus africanus” and their use as biological plant protecting agents Afrarforum AG (DE) 2013-05-07 US disclosed
US-20120015062-A1 EXTRACTS AND COMPOUNDS FROM \"AGAPANTHUS AFRICANUS\" AND THEIR USE AS BIOLOGICAL PLANT PROTECTING AGENTS AGRARFORUM SA (PTY) LTD. (ZA) 2012-01-19 US disclosed
US-20090258097-A1 EXTRACTS AND COMPOUNDS FROM \"AGAPANTHUS AFRICANUS\" AND THEIR USE AS BIOLOGICAL PLANT PROTECTING AGENTS AGRARFORUM AG (DE) 2009-10-15 US disclosed
US-20090258097-A1 EXTRACTS AND COMPOUNDS FROM \"AGAPANTHUS AFRICANUS\" AND THEIR USE AS BIOLOGICAL PLANT PROTECTING AGENTS AGRARFORUM AG (DE) 2009-10-15 US disclosed
US-4105675-A REDUCING ACYLATED FLAVANONE WITH ALKALI BOROHYDRIDE TO REMOVE OXYGEN FUNCTION AT 4-POSITION; OXIDIZING WITH HALOGENATED BENZOQUINONE TO FORM SALT THE COCA-COLA COMPANY (US) 1978-08-08 US 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-20090258097-A1 EXTRACTS AND COMPOUNDS FROM \"AGAPANTHUS AFRICANUS\" AND THEIR USE AS BIOLOGICAL PLANT PROTECTING AGENTS GGT1, AGPS, NPEPPS BCHE 23/4885ACHE 18/4885ALDH1A1 2004/4885
US-20120015062-A1 EXTRACTS AND COMPOUNDS FROM \"AGAPANTHUS AFRICANUS\" AND THEIR USE AS BIOLOGICAL PLANT PROTECTING AGENTS GGT1, AGPS, NPEPPS BCHE 23/4885ACHE 18/4885ALDH1A1 2004/4885
US-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 BCHE 2100/4885ACHE 890/4885ALDH1A1 609/4885

“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.