SCHEMBL4656453

SCHEMBL4656453

COc1ccc(CCC(=O)c2ccc(O)cc2O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
CYP3A4 P08684 2/20 0.76
NPC1 O15118 1/20 0.76
ALDH1A1 P00352 1/20 0.76
HPGD P15428 1/20 0.76
RAB9A P51151 1/20 0.76
ATM Q13315 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
SLC5A1 P13866 2/20 0.69
SLC5A2 P31639 2/20 0.69
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
F2RL1 P55085 1/20 0.58
GAA P10253 1/20 0.55
CYP19A1 P11511 1/20 0.55
MAPT P10636 1/20 0.55
PPARG P37231 1/20 0.55
HSP90AA1 P07900 1/20 0.55

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
SCHEMBL31511903 1.00 MEN1 (0.76) MEN1KMT2ACYP3A4NPC1ALDH1A1
SCHEMBL30254972 0.93 KMT2A (0.69) MEN1KMT2ACYP3A4NPC1ALDH1A1
SCHEMBL2875989 0.93 KMT2A (0.69) MEN1KMT2ACYP3A4NPC1ALDH1A1
Davidigenin SCHEMBL750182 0.88 CYP19A1 (0.70) MEN1KMT2ACYP3A4NPC1ALDH1A1
Davidigenin SCHEMBL30291870 0.88 CYP19A1 (0.70) MEN1KMT2ACYP3A4NPC1ALDH1A1
Ononetin SCHEMBL30203900 0.87 NPC1 (1.00) MEN1KMT2ACYP3A4NPC1ALDH1A1
Ononetin SCHEMBL2948430 0.87 NPC1 (1.00) MEN1KMT2ACYP3A4NPC1ALDH1A1
SCHEMBL10829584 0.85 TSHR (0.63) MEN1KMT2ACYP3A4NPC1ALDH1A1
SCHEMBL9730692 0.85 MEN1 (0.67) MEN1KMT2ACYP3A4NPC1ALDH1A1
SCHEMBL1840837 0.85 MEN1 (0.67) MEN1KMT2ACYP3A4NPC1ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230045522-A1 COMPOSITIONS AND METHODS TO MODULATE GLUCOSE HOMEOSTASIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-02-09 US claimed
WO-2021113473-A1 COMPOSITIONS AND METHODS TO MODULATE GLUCOSE HOMEOSTASIS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2021-06-10 WO claimed
EP-1996212-A2 COMPOUNDS FROM AN EXTRACT OF ARTEMISIA AND METHODS FOR TREATING DISORDERS Rutgers, The State University of New Jersey (US) 2008-12-03 EP claimed
WO-2007109217-A2 COMPOUNDS FROM AN EXTRACT OF ARTEMISIA AND METHODS FOR TREATING DISORDERS RUTGERS, THE STATES UNIVERSITY OF NEW JERSEY (US) 2007-09-27 WO claimed
US-20070224301-A1 Compounds from an extract of Artemisia and methods for treating disorders RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2007-09-27 US claimed
US-20230293614-A1 COMPOSITIONS AND METHODS OF TREATING UPS-ASSOCIATED DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-09-21 US disclosed
US-20230045522-A1 COMPOSITIONS AND METHODS TO MODULATE GLUCOSE HOMEOSTASIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-02-09 US disclosed
US-20230045522-A1 COMPOSITIONS AND METHODS TO MODULATE GLUCOSE HOMEOSTASIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-02-09 US disclosed
WO-2023278394-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF FIRMENICH INCORPORATED (US) 2023-01-05 WO disclosed
WO-2021113473-A1 COMPOSITIONS AND METHODS TO MODULATE GLUCOSE HOMEOSTASIS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2021-06-10 WO disclosed
US-8992892-B2 Use of 1-(2,4-dihydroxy-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-propan-1-one SYMRISE AG (DE) 2015-03-31 US disclosed
US-8992892-B2 Use of 1-(2,4-dihydroxy-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-propan-1-one SYMRISE AG (DE) 2015-03-31 US disclosed
WO-2007109217-A3 COMPOUNDS FROM AN EXTRACT OF ARTEMISIA AND METHODS FOR TREATING DISORDERS RUTGERS THE STATES UNIVERSITY (US) 2008-01-17 WO disclosed
WO-2007109217-A2 COMPOUNDS FROM AN EXTRACT OF ARTEMISIA AND METHODS FOR TREATING DISORDERS RUTGERS, THE STATES UNIVERSITY OF NEW JERSEY (US) 2007-09-27 WO disclosed
WO-2007109217-A2 COMPOUNDS FROM AN EXTRACT OF ARTEMISIA AND METHODS FOR TREATING DISORDERS RUTGERS, THE STATES UNIVERSITY OF NEW JERSEY (US) 2007-09-27 WO disclosed
WO-2007109217-A2 COMPOUNDS FROM AN EXTRACT OF ARTEMISIA AND METHODS FOR TREATING DISORDERS RUTGERS, THE STATES UNIVERSITY OF NEW JERSEY (US) 2007-09-27 WO disclosed
US-20070224301-A1 Compounds from an extract of Artemisia and methods for treating disorders RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2007-09-27 US disclosed
US-20070224301-A1 Compounds from an extract of Artemisia and methods for treating disorders RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2007-09-27 US disclosed
US-20070224301-A1 Compounds from an extract of Artemisia and methods for treating disorders RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2007-09-27 US disclosed
US-20070224301-A1 Compounds from an extract of Artemisia and methods for treating disorders RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2007-09-27 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 (2 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-20070224301-A1 Compounds from an extract of Artemisia and methods for treating disorders PDK2, PCK2, DUSP2 MEN1 3925/4885KMT2A 1873/4885CYP3A4 2330/4885
US-20230045522-A1 COMPOSITIONS AND METHODS TO MODULATE GLUCOSE HOMEOSTASIS GCKR, G6PC1, GPR119 MEN1 1345/4885KMT2A 3878/4885CYP3A4 4265/4885

“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.