SCHEMBL769555

SCHEMBL769555

CCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCC.[Na+]

nearest known ligand 0.72

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
ADORA3 known ✓ P0DMS8 1/20 0.72
AKT1 P31749 3/20 0.72
CDC25A P30304 2/20 0.72
LMNA P02545 2/20 0.72
ESR1 P03372 1/20 0.72
AGTR1 P30556 1/20 0.72
ADRA1A P35348 1/20 0.72
KCNH2 Q12809 1/20 0.72
LPAR3 Q9UBY5 6/20 0.59
LPAR2 Q9HBW0 5/20 0.59
LPAR1 Q92633 2/20 0.59
TERT O14746 1/20 0.54
UCHL3 P15374 1/20 0.54
MAPK14 Q16539 1/20 0.54
MAPK1 P28482 2/20 0.50
BLM P54132 2/20 0.50
PRKD3 O94806 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
PRKCA P17252 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
SCHEMBL28355527 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL28355399 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL28355525 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL10435761 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL2211526 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL4071722 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL6869674 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL1005430 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL596158 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3
SCHEMBL29067116 1.00 AKT1 (0.72) AKT1CDC25ALMNAESR1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025084522-A1 METHOD AND APPARATUS FOR MANUFACTURING LITHIUM CERAMIC PEBBLES FOR TRITIUM BREEDING MATERIALS 가천대학교 산학협력단 2025-04-24 WO claimed
US-12057585-B2 Conductive composition for secondary battery GRST INTERNATIONAL LIMITED (CN) 2024-08-06 US claimed
CN-117899931-B Synthetic method of pentamethyl indane 山东新和成药业有限公司 2024-06-14 CN claimed
CN-117899931-A Acidic composite catalyst for synthesizing pentamethylindane and synthesis method 山东新和成药业有限公司 2024-04-19 CN claimed
WO-2023216719-A1 ALKYL PHOSPHINATE COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 江苏利思德新材料股份有限公司 2023-11-16 WO claimed
CN-116948622-A Nanometer microemulsion oil displacement agent and preparation method thereof 陕西万朗石油工程技术服务有限公司 2023-10-27 CN claimed
US-20230343963-A1 CONDUCTIVE COMPOSITION FOR SECONDARY BATTERY GRST INTERNATIONAL LIMITED (HK) 2023-10-26 US claimed
EP-4094315-A1 CONDUCTIVE COMPOSITION FOR SECONDARY BATTERY GRST International Limited (CN) 2022-11-30 EP claimed
CN-114287075-A Conductive composition for secondary battery 广东省皓智科技有限公司 2022-04-05 CN claimed
WO-2021253302-A1 CONDUCTIVE COMPOSITION FOR SECONDARY BATTERY GUANGDONG HAOZHI TECHNOLOGY CO. LIMITED (CN) 2021-12-23 WO claimed
US-20130222510-A1 RESISTANCE HEATING COMPOSITION, HEATING COMPOSITE USING THE COMPOSITION, METHOD OF PREPARING THE HEATING COMPOSITE, AND HEATING APPARATUS AND FUSING APPARATUS USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-08-29 US claimed
CN-102059836-A Heat-shrinkable biaxially oriented film ZHONGSHAN TORCH POLYTECHNIC 2011-05-18 CN claimed
US-20100316579-A1 NOVEL USE OF ALKYL PHOSPHATE ESTERS GLAXO GROUP LIMITED 2010-12-16 US claimed
US-20090214648-A1 PHARMACEUTICAL FORMULATIONS COMPRISING IBUPROFEN AND DIPHENHYDRAMINE DR. REDDY'S LABORATORIES, INC. 2009-08-27 US claimed
EP-2073784-A1 NOVEL USE OF ALKYL PHOSPHATE ESTERS Glaxo Group Limited (GB) 2009-07-01 EP claimed
WO-2008049878-A1 NOVEL USE OF ALKYL PHOSPHATE ESTERS GLAXO GROUP LIMITED (GB) 2008-05-02 WO claimed
EP-0785247-B1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN CO (JP) 2003-11-19 EP claimed
US-5858266-A CONTAINING A HYDROFLUOROCARBON, A PHOSPHOROUS COMPOUND AND AN OXYGEN-CONTAINING ORGANIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 1999-01-12 US claimed
EP-0785247-A1 REFRIGERATOR OIL COMPOSITION IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-07-23 EP claimed
US-5393461-A For use in cosmetics, paints, drugs,inks; mixing powder with anionic, cationic, amphoteric, nonionic surfactants, oils, solvents, wetting agents and water, emulsification RTD CORPORATION (US) 1995-02-28 US claimed

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-20100316579-A1 NOVEL USE OF ALKYL PHOSPHATE ESTERS PHOSPHO1, NAPEPLD, DCPS ADORA3 1537/4885AKT1 4329/4885CDC25A 3266/4885
US-20090214648-A1 PHARMACEUTICAL FORMULATIONS COMPRISING IBUPROFEN AND DIPHENHYDRAMINE HRH1, HRH4, HRH2 ADORA3 170/4885AKT1 3937/4885CDC25A 1974/4885

“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.