SCHEMBL516485

SCHEMBL516485

Cn1c(=O)c2[nH]c(-c3ccccc3C(=O)O)nc2n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 1.00
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 2/20 0.71
HPGD P15428 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
ADORA2A P29274 3/20 0.66
ADORA1 P30542 2/20 0.66
HSD17B10 Q99714 2/20 0.66
CYP1A2 P05177 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
BLM P54132 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
USP2 O75604 1/20 0.61

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
SCHEMBL10614178 0.83 KDM4E (1.00) ADORA2BKDM4EALDH1A1HPGDTDP1
SCHEMBL8596143 0.83 KDM4E (0.76) ADORA2BKDM4EALDH1A1HPGDTDP1
SCHEMBL2119734 0.81 KDM4E (0.72) ADORA2BKDM4EALDH1A1HPGDTDP1
SCHEMBL8595301 0.81 KDM4E (0.72) ADORA2BKDM4EALDH1A1HPGDTDP1
SCHEMBL25090354 0.81 KDM4E (0.72) ADORA2BKDM4EALDH1A1HPGDTDP1
SCHEMBL25089903 0.80 KDM4E (0.71) ADORA2BKDM4EALDH1A1HPGDTDP1
8-Phenyl Theophylline SCHEMBL516432 0.80 ADORA2A (1.00) ADORA2BKDM4EALDH1A1ADORA2AADORA1
SCHEMBL29429838 0.80 KDM4E (0.70) ADORA2BKDM4EALDH1A1HPGDTDP1
SCHEMBL516349 0.80 KDM4E (0.70) ADORA2BKDM4EALDH1A1HPGDTDP1
SCHEMBL1833234 0.79 KDM4E (0.70) ADORA2BKDM4EALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250386846-A1 Food Compositions Including Aragonite NANT HOLDINGS IP LLC (US) 2025-12-25 US disclosed
US-12419336-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-09-23 US disclosed
US-20250194654-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2025-06-19 US disclosed
US-12310392-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-05-27 US disclosed
US-20240381918-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2024-11-21 US disclosed
US-12089621-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2024-09-17 US disclosed
US-20230354865-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2023-11-09 US disclosed
US-11793224-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2023-10-24 US disclosed
US-20230085907-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2023-03-23 US disclosed
US-11533940-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2022-12-27 US disclosed
US-6413558-B1 MIXTURE OF MONOSACCHARIDES, DISACCHARIDES AND MALTODEXTRIN THE PROCTOR & GAMBLE CO. 2002-07-02 US disclosed
EP-1196050-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2002-04-17 EP disclosed
WO-2002026053-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND MINERAL SUPPLEMENT THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO disclosed
WO-2002026055-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND DEFINED VITAMINS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO disclosed
WO-2001093833-A2 KITS AND METHODS FOR OPTIMIZING THE EFFICACY OF CHONDROPROTECTIVE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093831-A2 LOW CARBOHYDRATE COMPOSITIONS, KITS THEREOF, AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093832-A2 AQUEOUS CHONDROPROTECTIVE COMPOSITIONS HAVING DEFINED DOSAGE REQUIREMENTS FOR EFFICACIOUS DELIVERY THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093847-A2 COMPOSITIONS, KITS, AND METHODS FOR PROMOTING DEFINED HEALTH BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093701-A2 AQUEOUS CHONDROPROTECTIVE COMPOSITIONS HAVING DEFINED PH LIMITATIONS FOR EFFICACIOUS DELIVERY THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001005253-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 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 (1 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-20250386846-A1 Food Compositions Including Aragonite PLCG2, PLCG1, PLCB3 ADORA2B 1369/4885KDM4E 4328/4885ALDH1A1 4338/4885

“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.