SCHEMBL316820

SCHEMBL316820

O=C(OP(=O)([O-])[O-])C(O)CO.[Na+].[Na+]

nearest known ligand 0.41

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 8)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 3/20 0.41
CA1 known ✓ P00915 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
OR51E2 Q9H255 1/20 0.39
LMNA P02545 2/20 0.31
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30

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
Lithium Ion SCHEMBL23387433 0.98 CA1 (0.39) CA4CA1CA5ACA5BOR51E2
SCHEMBL3847418 0.98 CA1 (0.39) CA4CA1CA5ACA5BOR51E2
SCHEMBL5467168 0.98 CA1 (0.39) CA4CA1CA5ACA5BOR51E2
SCHEMBL1832597 0.81 OR51E2 (0.42) OR51E2PGK1PGK2
SCHEMBL121274 0.81 OR51E2 (0.42) OR51E2PGK1PGK2
SCHEMBL29273470 0.80 CA1 (0.39) CA4CA1CA5ACA5B
SCHEMBL5579171 0.79 OR51E2 (0.40) CA4OR51E2PGK1PGK2
SCHEMBL17513026 0.79 OR51E2 (0.40) OR51E2PGK1PGK2
SCHEMBL6852791 0.77 OR51E2 (0.39) OR51E2PGK1PGK2
SCHEMBL29666492 0.74 PGK1 (0.36) OR51E2PGK1PGK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433218-B1 COMPOSITION BASED ON CALCIUM OXIDE SIKA TECH AG (CH) 2024-05-22 EP claimed
US-10793471-B2 Composition based on calcium oxide SIKA TECHNOLOGY AG (CH) 2020-10-06 US claimed
US-20190084880-A1 COMPOSITION BASED ON CALCIUM OXIDE SIKA TECHNOLOGY AG (CH) 2019-03-21 US claimed
US-20260014101-A1 PETROLATUM-BASED DELIVERY SYSTEMS AND FOR ACTIVE INGREDIENTS GLOBAL HEALTH SOLUTIONS LLC (US) 2026-01-15 US disclosed
US-12083221-B2 Petrolatum-based delivery systems and for active ingredients GLOBAL HEALTH SOLUTIONS LLC 2024-09-10 US disclosed
US-11964039-B2 Compositions that brighten skin, provide sun protection, and permit vitamin D production ARMSTRONG ERNEST T (US) 2024-04-23 US disclosed
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-20220087917-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS VENTURE FUND VI PTE. LTD. (SG) 2022-03-24 US disclosed
US-20220016010-A1 COMPOSITIONS THAT BRIGHTEN SKIN, PROVIDE SUN PROTECTION, AND PERMIT VITAMIN D PRODUCTION ARMSTRONG ERNEST T (US) 2022-01-20 US disclosed
US-20210401744-A1 PETROLATUM-BASED DELIVERY SYSTEMS AND FOR ACTIVE INGREDIENTS GLOBAL HEALTH SOLUTIONS LLC (US) 2021-12-30 US disclosed
US-11077046-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
WO-2017124156-A1 COMPOSITIONS THAT BRIGHTEN SKIN, PROVIDE SUN PROTECTION, AND PERMIT VITAMIN D PRODUCTION ARMSTRONG ERNEST T (AU) 2017-07-27 WO disclosed
WO-2016204959-A1 PETROLATUM-BASED DELIVERY SYSTEMS AND FOR ACTIVE INGREDIENTS Global Health Solutions, Inc. (US) 2016-12-22 WO disclosed
US-20160367676-A1 PETROLATUM-BASED DELIVERY SYSTEMS AND FOR ACTIVE INGREDIENTS GLOBAL HEALTH SOLUTIONS LLC 2016-12-22 US disclosed
US-20160206540-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2016-07-21 US disclosed
WO-2016029021-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES SAMUMED, LLC (US) 2016-02-25 WO disclosed
US-8092592-B2 Additive for hydraulic binding agent with long processing time and high early strength SIKA TECHNOLOGY AG (CH) 2012-01-10 US disclosed
US-20110067604-A1 ADDITIVE FOR HYDRAULIC BINDING AGENT WITH LONG PROCESSING TIME AND HIGH EARLY STRENGTH SIKA TECHNOLOGY AG (CH) 2011-03-24 US disclosed
US-20050201917-A1 Partially crystalline mesostructured material consisting of cerium oxide, of zirconium oxide or of titanium oxide and comprising an element in solid solution in said oxide RHODIA ELECTRONICS AND CATALYSIS (FR) 2005-09-15 US disclosed
EP-0814374-A2 Stabilized heat-sensitive imaging material LABELON CORPORATION (US) 1997-12-29 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 (5 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-11077046-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles GLA, DGKG, DGKA CA4 3810/4885CA1 4884/4885CA5A 2671/4885
US-20220087917-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA CA4 3810/4885CA1 4884/4885CA5A 2671/4885
US-20260014101-A1 PETROLATUM-BASED DELIVERY SYSTEMS AND FOR ACTIVE INGREDIENTS FLNA, CUTA, FLNB CA4 4219/4885CA1 4837/4885CA5A 3008/4885
US-20160206540-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA CA4 3810/4885CA1 4884/4885CA5A 2671/4885
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles DGKG, DGKA, DNER CA4 4150/4885CA1 4880/4885CA5A 3808/4885

“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.