SCHEMBL717546

SCHEMBL717546

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])C(=O)[O-].[Al+3].[Al+3]

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.72
NFKB1 P19838 3/20 0.58
GPR84 Q9NQS5 1/20 0.56
FABP3 P05413 7/20 0.55
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CA1 P00915 2/20 0.52

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
SCHEMBL16972964 1.00 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
Water SCHEMBL9702527 0.96 CA2 (0.68) CA2NFKB1GPR84FABP3CYP3A4
Zinc Ion SCHEMBL9806605 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
Lithium Ion SCHEMBL11438840 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
Lithium Ion SCHEMBL9781566 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
Potassium Ion SCHEMBL9246555 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
SCHEMBL3438387 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
SCHEMBL9577313 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
SCHEMBL3685429 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
Lithium Ion SCHEMBL5680426 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016939-B2 Skin treatment methods and compositions for transdermal delivery of active agents TOPIX PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20240108556-A1 SCAR TREATMENT COMPOSITION TOPIX PHARMACEUTICALS, INC. 2024-04-04 US disclosed
US-20240075112-A1 SCAR TREATMENT COMPOSITION TOPIX PHARMACEUTICALS, INC. 2024-03-07 US disclosed
CN-110381917-B Use of compatible solutes 默克专利股份有限公司 2023-10-31 CN disclosed
CN-116782923-A Scar treatment composition 塔普克斯制药公司 2023-09-19 CN disclosed
CN-116710081-A Scar treatment composition 塔普克斯制药公司 2023-09-05 CN disclosed
US-20230190593-A1 SKIN TREATMENT METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF ACTIVE AGENTS TOPIX PHARMACEUTICALS, INC. 2023-06-22 US disclosed
CN-116075310-A Topical vitamin C compositions 塔普克斯制药公司 2023-05-05 CN disclosed
EP-4171537-A1 TOPICAL VITAMIN C COMPOSITION Topix Pharmaceuticals, Inc. (US) 2023-05-03 EP disclosed
US-11596584-B2 Skin treatment methods and compositions for transdermal delivery of active agents TOPIX PHARMACEUTICALS, INC. (US) 2023-03-07 US disclosed
US-20130115178-A1 TANNING ENHANCERS AND SELF-TANNING SUBSTANCES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-09 US disclosed
US-20130108565-A1 TANNING ENHANCERS AND SELF-TANNING SUBSTANCES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-02 US disclosed
US-20130059924-A1 PHOTOSTABILISERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 US disclosed
US-20130058879-A1 TRIAZINES AS REACTION ACCELERATORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 US disclosed
US-20130011350-A1 METAL OXIDE PARTICLES AFTERTREATED WITH ORGANIC PHOSPHORUS COMPOUNDS SACHTLEBEN CHEMIE GMBH (DE) 2013-01-10 US disclosed
US-20120258154-A1 PARTICULATE UV PROTECTION AGENT SACHTLEBEN CHEMIE GMBH (DE) 2012-10-11 US disclosed
EP-2470174-A1 USE OF FAA AND ITS DERIVATIVES IN COSMETICS AND DERMATOLOGY Merck Patent GmbH (DE) 2012-07-04 EP disclosed
US-20120052028-A1 CINNAMIC ACID ASCORBATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
WO-2011023287-A1 USE OF FAA AND ITS DERIVATIVES IN COSMETICS AND DERMATOLOGY MERCK PATENT GMBH (DE) 2011-03-03 WO disclosed
US-20100034893-A1 PARTICULATE UV PROTECTION AGENT MERCK PATENT GMBH (DE) 2010-02-11 US 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 (13 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-20240108556-A1 SCAR TREATMENT COMPOSITION MMP1, MMP8, PLAT CA2 3856/4885NFKB1 2079/4885GPR84 594/4885
US-20230190593-A1 SKIN TREATMENT METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF ACTIVE AGENTS CUTA, MMP1, TYR CA2 2211/4885NFKB1 2065/4885GPR84 1798/4885
US-11596584-B2 Skin treatment methods and compositions for transdermal delivery of active agents CUTA, MMP1, TYR CA2 2211/4885NFKB1 2065/4885GPR84 1798/4885
US-20120052028-A1 CINNAMIC ACID ASCORBATES PROC, C1S, NISCH CA2 832/4885NFKB1 362/4885GPR84 3946/4885
US-20240075112-A1 SCAR TREATMENT COMPOSITION MMP1, MMP8, MMP2 CA2 4072/4885NFKB1 1656/4885GPR84 1114/4885
US-20130115178-A1 TANNING ENHANCERS AND SELF-TANNING SUBSTANCES DERA, ALDOA, GALE CA2 2634/4885NFKB1 950/4885GPR84 2664/4885
US-12016939-B2 Skin treatment methods and compositions for transdermal delivery of active agents CUTA, MMP1, TYR CA2 2211/4885NFKB1 2065/4885GPR84 1798/4885
US-20130059924-A1 PHOTOSTABILISERS ALDH1A1, ALDH18A1, ALDH1A2 CA2 1438/4885NFKB1 1676/4885GPR84 2969/4885
US-20130058879-A1 TRIAZINES AS REACTION ACCELERATORS TYR, NAT1, TERT CA2 2970/4885NFKB1 1106/4885GPR84 2101/4885
US-20130011350-A1 METAL OXIDE PARTICLES AFTERTREATED WITH ORGANIC PHOSPHORUS COMPOUNDS SOST, PHOSPHO1, PLCG2 CA2 237/4885NFKB1 1542/4885GPR84 3562/4885
US-20120258154-A1 PARTICULATE UV PROTECTION AGENT SOD1, SOD3, UNG CA2 1877/4885NFKB1 1349/4885GPR84 3548/4885
US-20130108565-A1 TANNING ENHANCERS AND SELF-TANNING SUBSTANCES TYR, DERA, HAAO CA2 3191/4885NFKB1 1837/4885GPR84 2968/4885
US-20100034893-A1 PARTICULATE UV PROTECTION AGENT SOD1, SOD3, UNG CA2 1877/4885NFKB1 1349/4885GPR84 3548/4885

“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.