SCHEMBL730840

SCHEMBL730840

COOc1ccccc1C(=O)[O-].[Na+]

nearest known ligand 0.48

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
PTGS1 known ✓ P23219 1/20 0.39
PTGS2 known ✓ P35354 1/20 0.39
CA2 known ✓ P00918 1/20 0.39
CA4 known ✓ P22748 1/20 0.39
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CTSD P07339 1/20 0.41
HTT P42858 1/20 0.41
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39
TSHR P16473 1/20 0.39
GGT1 P19440 1/20 0.39
BLM P54132 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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 SCHEMBL29619648 0.96 KDM4E (0.44) KDM4EHPGDALDH1A1HSD17B10IRAK4
Potassium Ion SCHEMBL1002905 0.96 KDM4E (0.44) KDM4EHPGDALDH1A1HSD17B10IRAK4
SCHEMBL2514158 0.84 CTSD (0.56) KDM4EHPGDALDH1A1HSD17B10CTSD
SCHEMBL7672827 0.82 IRAK4 (0.59) KDM4EHPGDALDH1A1HSD17B10IRAK4
Potassium Ion SCHEMBL29026645 0.80 CTSD (0.56) HPGDALDH1A1HSD17B10CTSDHTT
Lithium Ion SCHEMBL7961800 0.80 CTSD (0.56) HPGDALDH1A1HSD17B10CTSDHTT
Zinc Ion SCHEMBL10404876 0.80 CTSD (0.56) HPGDALDH1A1HSD17B10CTSDHTT
SCHEMBL1333594 0.80 CTSD (0.56) HPGDALDH1A1HSD17B10CTSDHTT
SCHEMBL31664325 0.80 KDM4E (0.61) KDM4EHPGDALDH1A1HSD17B10HTT
SCHEMBL5459 0.80 KDM4E (0.61) KDM4EHPGDALDH1A1HSD17B10HTT

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 91 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-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
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
WO-2025014889-A2 SEMAGLUTIDE FORMULATIONS PROCOMPOUNDING, LLC (US) 2025-01-16 WO disclosed
US-12194046-B2 D9-caffeine compositions and uses thereof Lennham Pharmaceuticals, Inc. (US) 2025-01-14 US disclosed
US-20070116761-A1 Novel formulations of pharmacological agents, methods for the preparation thereof and methods for the use thereof ABRAXIS BIOSCIENCE, INC. 2007-05-24 US disclosed
US-20070092563-A1 Novel formulations of pharmacological agents, methods for the preparation thereof and methods for the use thereof ABRAXIS BIOSCIENCE, INC. (US) 2007-04-26 US disclosed
US-20070093547-A1 Novel formulations of pharmacological agents, methods for the preparation thereof and methods for the use thereof ABRAXIS BIOSCIENCE, LLC 2007-04-26 US disclosed
US-20070087022-A1 Novel formulations of pharmacological agents, methods for the preparation thereof and methods for the use thereof ABRAXIS BIOSCIENCE, INC. (US) 2007-04-19 US disclosed
EP-1023050-A4 NOVEL FORMULATIONS OF PHARMACOLOGICAL AGENTS, METHODS FOR THE PREPARATION THEREOF AND METHODS FOR THE USE THEREOF AMERICAN BIOSCIENCE INC (US) 2006-08-30 EP disclosed
EP-1023050-A1 NOVEL FORMULATIONS OF PHARMACOLOGICAL AGENTS, METHODS FOR THE PREPARATION THEREOF AND METHODS FOR THE USE THEREOF Vivorx Pharmaceuticals, Inc. (US) 2000-08-02 EP disclosed
WO-1999000113-A9 NOVEL FORMULATIONS OF PHARMACOLOGICAL AGENTS, METHODS FOR THE PREPARATION THEREOF AND METHODS FOR THE USE THEREOF VIVORX PHARMACEUTICALS INC (US) 1999-04-08 WO disclosed
WO-1999000113-A1 NOVEL FORMULATIONS OF PHARMACOLOGICAL AGENTS, METHODS FOR THE PREPARATION THEREOF AND METHODS FOR THE USE THEREOF VIVORX PHARMACEUTICALS, INC. (US) 1999-01-07 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 (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-12194046-B2 D9-caffeine compositions and uses thereof SCN9A, CCR9, ADCY9 PTGS1 2699/4885PTGS2 3360/4885CA2 504/4885
US-20260116853-A1 NEW N,N-DIMETHYLTRYPTAMINE SALTS AND CRYSTALLINE SALT FORMS SLC6A4, HTR1D, HTR1A PTGS1 2030/4885PTGS2 2179/4885CA2 351/4885
US-20250388538-A1 N,N-DIMETHYLTRYPTAMINE SALTS AND CRYSTALLINE SALT FORMS SLC6A4, SLC6A2, SLC18A2 PTGS1 3393/4885PTGS2 2740/4885CA2 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.