SCHEMBL730839

SCHEMBL730839

COc1cccc(C(=O)[O-])c1O.[Na+]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 1/20 0.46
CA1 known ✓ P00915 1/20 0.46
CA2 known ✓ P00918 1/20 0.46
ADORA2A known ✓ P29274 1/20 0.43
ADORA2B known ✓ P29275 1/20 0.43
ADORA1 known ✓ P30542 1/20 0.43
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX12 P18054 1/20 0.53
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
KLKB1 P03952 1/20 0.50

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
Potassium Ion SCHEMBL1002904 0.96 KDM4E (0.53) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL480276 0.82 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL30463054 0.82 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL2514158 0.82 CTSD (0.56) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL28837855 0.81 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6689608 0.81 NPC1 (0.51) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL29360359 0.81 MAPT (0.59) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL29502905 0.81 LMNA (0.57) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL2066210 0.81 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL22588880 0.81 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025014889-A2 SEMAGLUTIDE FORMULATIONS PROCOMPOUNDING, LLC (US) 2025-01-16 WO claimed
CN-114292167-B Preparation method of vanillin 万华化学集团股份有限公司 2023-12-19 CN claimed
CN-116270598-A Pharmaceutical composition comprising tedenob and use of tedenob in the treatment of breast cancer 云南大益微生物技术有限公司 2023-06-23 CN claimed
CN-114292167-A Preparation method of vanillin 万华化学集团股份有限公司 2022-04-08 CN claimed
EP-3154533-A1 METHODS OF ANESTHETIZING NERVE TISSUE IN THE TRIGEMINAL NERVE PATHWAY AND MEDICAL USES THEREOF Loewi LLC (US) 2017-04-19 EP claimed
WO-2015195708-A1 METHODS OF ANESTHETIZING NERVE TISSUE IN THE TRIGEMINAL NERVE PATHWAY AND MEDICAL USES THEREOF Loewi LLC (US) 2015-12-23 WO claimed
EP-0035770-B1 AN ORALLY ADMINISTERED DRUG FORM COMPRISING A GLYCOSIDIC ANTIBIOTIC AND AN ADJUVANT INTERx RESEARCH CORPORATION (US) 1986-12-30 EP claimed
CN-122031336-A Whitening and freckle-removing composition based on multi-channel synergy and application thereof 广州诺彦生物科技有限公司 2026-05-15 CN disclosed
US-20260116853-A1 NEW N,N-DIMETHYLTRYPTAMINE SALTS AND CRYSTALLINE SALT FORMS ATAI THERAPEUTICS INC (US) 2026-04-30 US disclosed
US-20250388538-A1 N,N-DIMETHYLTRYPTAMINE SALTS AND CRYSTALLINE SALT FORMS ATAI THERAPEUTICS INC (US) 2025-12-25 US disclosed
US-20250248424-A1 DEUTERATED CAFFEINE AND USES THEREOF Lennham Pharmaceuticals, Inc. (US) 2025-08-07 US disclosed
US-12378194-B2 N, n-dimethyltryptamine salts and crystalline salt forms ATAI THERAPEUTICS, INC. (US) 2025-08-05 US disclosed
CN-116217376-B Preparation method of 3-alkoxy-4-hydroxy mandelic acid 万华化学集团股份有限公司 2025-05-13 CN disclosed
US-4470980-A Method of increasing oral absorption of β-lactam antibiotics INTERX RESEARCH CORP. (US) 1984-09-11 US disclosed
US-4464363-A HYDROXY ARYL- OR HYDROXY ARALKYL ACIDS OR SALTS MERCK & CO., INC. (US) 1984-08-07 US disclosed
US-4406896-A ANTIBIOTICS, ACIDS, HYDROXY MERCK & CO., INC. (US) 1983-09-27 US disclosed
EP-0036534-A1 An orally administrable drug form comprising a beta-lactam antibiotic and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-30 EP disclosed
EP-0036145-A1 An orally administered drug form comprising a polar bioactive agent and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-23 EP disclosed
EP-0035770-A2 An orally administered drug form comprising a glycosidic antibiotic and an adjuvant INTERx RESEARCH CORPORATION (US) 1981-09-16 EP disclosed
EP-0031561-A2 A rectally administered suppository comprising a drug and an adjuvant MERCK & CO. INC. (US) 1981-07-08 EP 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-20260116853-A1 NEW N,N-DIMETHYLTRYPTAMINE SALTS AND CRYSTALLINE SALT FORMS SLC6A4, HTR1D, HTR1A CA12 1842/4885CA1 856/4885CA2 351/4885
US-20250388538-A1 N,N-DIMETHYLTRYPTAMINE SALTS AND CRYSTALLINE SALT FORMS SLC6A4, SLC6A2, SLC18A2 CA12 2380/4885CA1 1914/4885CA2 339/4885

“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.