SCHEMBL430869

SCHEMBL430869

CC(O)N(C(C)O)C(C)O.CCCCCCCCCCCCCOS(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.47
CA2 P00918 9/20 0.47
CA9 Q16790 8/20 0.47
CA12 O43570 3/20 0.47
CA7 P43166 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
RECQL P46063 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.46
BLM P54132 1/20 0.46
FNTA P49354 2/20 0.41
FNTB P49356 2/20 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
SCHEMBL378934 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL4292980 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL97774 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL2324900 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL2323499 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
Octadecyl Sulfate SCHEMBL3963774 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL8425908 1.00 CA1 (0.47) CA1CA2CA9CA12CA7
Sulfuric Acid SCHEMBL8526889 0.98 CA1 (0.46) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL11778710 0.98 CA1 (0.46) CA1CA2CA9CA12CA7
Oleyl Sulfate SCHEMBL430287 0.91 PPARA (0.44) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210322359-A1 SICKLE CELL DISEASE TREATMENT UTILIZING OMEGA-3 FATTY ACIDS MICELLE BIOPHARMA, INC. (US) 2021-10-21 US disclosed
US-20210324302-A1 OMEGA-3 FATTY ACID ESTER COMPOSITIONS MICELLE BIOPHARMA, INC. (US) 2021-10-21 US disclosed
US-20210322360-A1 SELF-MICELLIZING FATTY ACIDS AND FATTY ACID ESTER COMPOSITIONS AND THEIR USE IN THE TREATMENT OF DISEASE STATES MICELLE BIOPHARMA, INC. (US) 2021-10-21 US disclosed
US-11046909-B2 Omega-3 fatty acid ester compositions Omega Biopharma, Inc. (US) 2021-06-29 US disclosed
US-10898458-B2 Self-micellizing fatty acids and fatty acid ester compositions and their use in the treatment of disease states MICELLE BIOPHARMA, INC. (US) 2021-01-26 US disclosed
US-10894027-B2 Sickle cell disease treatment utilizing omega-3 fatty acids MICELLE BIOPHARMA, INC. (US) 2021-01-19 US disclosed
US-20200330422-A1 Formulations for Treating and/or Preventing Disease MICELLE BIOPHARMA, INC. (US) 2020-10-22 US disclosed
EP-2830602-B1 OMEGA-3 FATTY ACID ESTER COMPOSITIONS MICELLE BIOPHARMA INC (US) 2020-10-21 EP disclosed
US-20200093779-A1 Sickle Cell Disease Treatment Utilizing Omega-3 Fatty Acids MICELLE BIOPHARMA, INC. (US) 2020-03-26 US disclosed
US-20190264134-A1 OMEGA-3 FATTY ACID ESTER COMPOSITIONS MICELLE BIOPHARMA, INC. (US) 2019-08-29 US disclosed
US-20060127338-A1 Aqueous suspensions of cross-linked silicone particles, aqueous emulsions of oil containing cross-linked silicone particles, and cosmetic raw material DOW CORNING TORAY COMPANY, LTD. (JP) 2006-06-15 US disclosed
EP-1541633-A1 AQUEOUS SUSPENSION OF CROSSLINKED SILICONE PARTICLES, AQUEOUS EMULSION OF OIL CONTAINING CROSSLINKED SILICONE PARTICLES, AND COSMETIC INGREDIENTS Dow Corning Toray Silicone Company, Ltd. (JP) 2005-06-15 EP disclosed
US-20040147647-A1 Polyorganosiloxane micro-emulsion composition and raw material for cosmetics DOW CORNING TORAY SILICONE CO., LTD. (JP) 2004-07-29 US disclosed
US-20040138373-A1 Polyorganosiloxane emulsion composition and a cosmetic material made therefrom DOW TORAY CO., LTD. (JP) 2004-07-15 US disclosed
US-20040091438-A1 Polyorganosiloxane emulsions,process for producing the same and material for cosmetic preparation DOW CORNING TORAY SILICONE CO. LTD. (JP) 2004-05-13 US disclosed
EP-1406575-A2 POLYORGANOSILOXANE MICRO-EMULSION COMPOSITION AND RAW MATERIAL FOR COSMETICS Dow Corning Toray Silicone Co.,Ltd. Patent Department (JP) 2004-04-14 EP disclosed
EP-1394215-A1 POLYORGANOSILOXANE EMULSION, PROCESS FOR PRODUCING THE SAME, AND MATERIAL FOR COSMETIC PREPARATION Dow Corning Toray Silicone Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1381651-A1 POLYORGANOSILOXANE EMULSION COMPOSITION AND A COSMETIC MATERIAL MADE THEREFROM Dow Corning Toray Silicone Co.,Ltd. Patent Department (JP) 2004-01-21 EP disclosed
WO-2002094213-A2 POLYORGANOSILOXANE MICRO-EMULSION COMPOSITION AND RAW MATERIAL FOR COSMETICS DOW CORNING TORAY SILICONE CO.,LTD. (JP) 2002-11-28 WO disclosed
WO-2002088253-A1 POLYORGANOSILOXANE EMULSION COMPOSITION AND A COSMETIC MATERIAL MADE THEREFROM DOW CORNING TORAY SILICONE CO., LTD. (JP) 2002-11-07 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-20040091438-A1 Polyorganosiloxane emulsions,process for producing the same and material for cosmetic preparation CUTA, UNG, PCNA CA1 3951/4885CA2 4091/4885CA9 3606/4885
US-20060127338-A1 Aqueous suspensions of cross-linked silicone particles, aqueous emulsions of oil containing cross-linked silicone particles, and cosmetic raw material H1-0, CD44, H1-2 CA1 3981/4885CA2 4355/4885CA9 4204/4885
US-20040147647-A1 Polyorganosiloxane micro-emulsion composition and raw material for cosmetics UNG, PHOSPHO1, TPMT CA1 3135/4885CA2 3796/4885CA9 2078/4885

“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.