SCHEMBL824463

SCHEMBL824463

Cc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.76
MAPT P10636 7/20 0.76
MEN1 O00255 6/20 0.76
CYP3A4 P08684 6/20 0.76
FLT3 P36888 5/20 0.76
CYP1A1 P04798 5/20 0.76
CYP1B1 Q16678 5/20 0.76
MAOB P27338 5/20 0.76
ABCB1 P08183 5/20 0.76
CYP2C9 P11712 5/20 0.76
CYP2C19 P33261 5/20 0.76
IP6K2 Q9UHH9 4/20 0.76
MKNK2 Q9HBH9 4/20 0.76
MAPK1 P28482 4/20 0.76
HPGD P15428 4/20 0.76
GABRP O00591 4/20 0.76
GABRD O14764 4/20 0.76
GABRA1 P14867 4/20 0.76
GABRB1 P18505 4/20 0.76
GABRG2 P18507 4/20 0.76

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
SCHEMBL12792657 0.88 CCNC (0.76) KMT2AMAPTMEN1CYP3A4FLT3
SCHEMBL10026574 0.87 POLH (0.74) KMT2AMAPTMEN1CYP3A4FLT3
Apigenin SCHEMBL5083245 0.86 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4FLT3
Apigenin SCHEMBL19428 0.86 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4FLT3
Apigenin SCHEMBL29351464 0.86 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4FLT3
SCHEMBL20664434 0.86 ADORA3 (1.00) KMT2AMAPTMEN1CYP3A4FLT3
SCHEMBL12636897 0.85 CYP1B1 (0.81) KMT2AMAPTMEN1CYP3A4FLT3
Apigenin SCHEMBL1658882 0.85 KMT2A (0.97) KMT2AMAPTMEN1CYP3A4FLT3
Apigenin SCHEMBL31168790 0.85 KMT2A (0.97) KMT2AMAPTMEN1CYP3A4FLT3
Apigenin SCHEMBL29448148 0.85 KMT2A (0.97) KMT2AMAPTMEN1CYP3A4FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085383-A1 SMALL MOLECULE CD38 INHIBITORS AND METHODS OF USING SAME MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-03-29 US disclosed
US-9415034-B2 Inhibitors and enhancers of uridine diphosphate-glucuronosyltransferase 2B (UGT2B) NATIONAL DEFENSE MEDICAL CENTER (TW) 2016-08-16 US disclosed
US-20160184298-A1 INHIBITORS AND ENHANCERS OF URIDINE DIPHOSPHATE-GLUCURONOSYLTRANSFERASE 2B (UGT2B) NAT DEFENSE MEDICAL CT (TW) 2016-06-30 US disclosed
US-20160024527-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-01-28 US disclosed
EP-2387712-B1 NONINVASIVE MEASUREMENT OF FLAVONOID COMPOUNDS IN BIOLOGICAL TISSUE SHARIFZADEH MOHSEN (US) 2014-06-04 EP disclosed
US-8420141-B2 Food coloring PEPSICO, INC. (US) 2013-04-16 US disclosed
WO-2012118287-A2 NOVEL COMPOUND ISOLATED FROM ALLIUM TUBEROSUM AND USE THEREOF AS ANTIVIRAL AGENT KONKUK UNIVERSITY INDUSTRIAL COOPERATION CORP. (KR) 2012-09-07 WO disclosed
US-8142829-B2 Beverage composition and method of reducing degradation of monatin PEPSICO, INC. (US) 2012-03-27 US disclosed
US-7880059-B2 Production of proanthocyanidins to improve forage quality THE SAMUEL ROBERTS NOBLE FOUNDATION (US) 2011-02-01 US disclosed
US-20100075005-A1 Beverage composition and method of reducing degradation of monatin PEPSICO, INC. (US) 2010-03-25 US disclosed
US-20090083874-A1 PRODUCTION OF PROANTHOCYANIDINS TO IMPROVE FORAGE QUALITY THE SAMUEL ROBERTS NOBLE FOUNDATION 2009-03-26 US disclosed
US-20090074708-A1 Inhibitors and Enhancers of Uridine Diphosphate-Glucuronosyltransferase 2B (UGT2B) NATIONAL DEFENSE MEDICAL UNIVERSITY (TW) 2009-03-19 US disclosed
US-20040072790-A1 Safe natural pharmaceutical composition for treating cancer LIU YAGUANG (US) 2004-04-15 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 (6 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-20090083874-A1 PRODUCTION OF PROANTHOCYANIDINS TO IMPROVE FORAGE QUALITY QPCTL, FABP6, HHAT KMT2A 2296/4885MAPT 2155/4885MEN1 2562/4885
US-20040072790-A1 Safe natural pharmaceutical composition for treating cancer MATR3, HPN, HAMP KMT2A 425/4885MAPT 392/4885MEN1 658/4885
US-20160184298-A1 INHIBITORS AND ENHANCERS OF URIDINE DIPHOSPHATE-GLUCURONOSYLTRANSFERASE 2B (UGT2B) UGT2B7, UGT2B17, UGT1A10 KMT2A 4826/4885MAPT 2113/4885MEN1 4841/4885
US-20160024527-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PCK2, GSR, TFAM KMT2A 2889/4885MAPT 4110/4885MEN1 4369/4885
US-20180085383-A1 SMALL MOLECULE CD38 INHIBITORS AND METHODS OF USING SAME CD38, BCL6B, DNASE1L3 KMT2A 1199/4885MAPT 3326/4885MEN1 3469/4885
US-20090074708-A1 Inhibitors and Enhancers of Uridine Diphosphate-Glucuronosyltransferase 2B (UGT2B) UGT2B7, UGT2B17, UGT1A10 KMT2A 4826/4885MAPT 2113/4885MEN1 4841/4885

“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.