SCHEMBL427877

SCHEMBL427877

CCCCCCCCCCCCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

nearest known ligand 0.50

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 15)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.46
CA2 known ✓ P00918 2/20 0.42
CA12 known ✓ O43570 2/20 0.42
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
GPR84 Q9NQS5 1/20 0.43
CA9 Q16790 2/20 0.42
FABP3 P05413 4/20 0.41
KDM5A P29375 2/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL10944382 1.00 KDM4E (0.50) KDM4EMAPTALOX15SMN1; SMN2CA1
SCHEMBL1268597 1.00 KDM4E (0.50) KDM4EMAPTALOX15SMN1; SMN2CA1
SCHEMBL9512716 0.96 KDM4E (0.57) KDM4EMAPTALOX15SMN1; SMN2CA1
SCHEMBL8857589 0.94 KDM4E (0.59) KDM4EMAPTALOX15SMN1; SMN2CA1
SCHEMBL6564301 0.93 TDP1 (0.45) KDM4EMAPTALOX15SMN1; SMN2CA1
SCHEMBL3922190 0.92 KDM4E (0.47) KDM4EMAPTALOX15SMN1; SMN2CA1
SCHEMBL38663478 0.92 CA1 (0.43) KDM4EMAPTALOX15SMN1; SMN2CA1
Lithium Ion SCHEMBL19032357 0.92 KDM4E (0.45) KDM4EMAPTALOX15SMN1; SMN2CA1
Lithium Ion SCHEMBL18954186 0.92 KDM4E (0.45) KDM4EMAPTALOX15SMN1; SMN2CA1
Lithium Ion SCHEMBL19032485 0.92 KDM4E (0.45) KDM4EMAPTALOX15SMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010612-A Hard water resistant compound fertilizer and preparation method and application thereof 中化化肥有限公司临沂农业研发中心 2026-05-12 CN claimed
CN-119871232-A Complex micro-fine inner runner fluid polishing method based on weak oxidation and micro-friction composite effect 南京尚吉增材制造研究院有限公司 2025-04-25 CN claimed
CN-119465170-A Rust remover for gas pressure regulating box and preparation method thereof 山东奥德燃气设备制造有限公司 2025-02-18 CN claimed
CN-119033635-A High-oil high-foamability bath foam and preparation method thereof 广东博然堂生物科技有限公司 2024-11-29 CN claimed
CN-118956359-A Microbubble drilling fluid system and preparation method and application thereof 中国地质大学(北京) 2024-11-15 CN claimed
CN-117626283-A Preparation method and application of recyclable acidic metal cleaning agent 陕西汇德新材料科技有限公司 2024-03-01 CN claimed
CN-116574221-A Preparation and application of aqueous phase antibacterial agent based on semiconductor polymer 金陵科技学院 2023-08-11 CN claimed
CN-116060016-A Preparation method of oxygen storage material, oxygen storage material and application of oxygen storage material 东风汽车集团股份有限公司 2023-05-05 CN claimed
CN-115181455-B Pigment based on temperature discoloration and preparation method thereof 深圳市添金利新材料科技有限公司 2023-05-05 CN claimed
CN-115181455-A Novel pigment based on temperature discoloration and preparation method thereof 深圳市添金利新材料科技有限公司 2022-10-14 CN claimed
CN-114644844-A Mildew-proof antibacterial inorganic coating 福建釉时代环保涂料有限公司 2022-06-21 CN claimed
CN-114032554-A Environment-friendly low-temperature oil-removing cleaning agent 江苏嘉宏新材料有限公司 2022-02-11 CN claimed
CN-111042782-A Method for recovering production of coal bed gas well 中石油煤层气有限责任公司 2020-04-21 CN claimed
CN-107611396-B Sulfur-asphalt-based/graphene composite material and preparation method and application thereof 中国科学院山西煤炭化学研究所 2019-12-24 CN claimed
CN-110559203-A Low-irritation cleaning composition and preparation method thereof 广州市科能化妆品科研有限公司 2019-12-13 CN claimed
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 US claimed
WO-2026087745-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-30 WO disclosed
EP-4732825-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-29 EP disclosed
US-6214957-B1 POLYMER CONTAINING HYDROPHILIC MONOMERS HAVING AMMONIO ETHYL PHOSPHATE SIDE CHAINS, POLYMER IS SOLUBLE IN SOLVENT CONTAINING WATER NOF CORPORATION (JP) 2001-04-10 US disclosed
EP-0070191-A1 Detergent additives and detergent compositions containing them UNILEVER PLC (GB) 1983-01-19 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 (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-20190099342-A1 COOLING PRODUCT TRPA1, TRPV2, NISCH CA1 2904/4885CA2 737/4885CA12 1044/4885

“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.