SCHEMBL131579

SCHEMBL131579

CCCCCCCCCCCC(=O)C(CCCN)[N+](C)(C)C(C)(C)C(=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.38
CA2 P00918 1/20 0.36
CES1 P23141 3/20 0.36

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
SCHEMBL9007212 0.82 CA2 (0.42) CES2CA2CES1
SCHEMBL8692682 0.72 CA2 (0.47) CA2
SCHEMBL739218 0.71 CA2 (0.48) CES2CA2CES1
SCHEMBL736191 0.71 CES2 (0.48) CES2CA2CES1
SCHEMBL115894 0.71 CES2 (0.48) CES2CA2CES1
SCHEMBL115454 0.71 CA2 (0.48) CES2CA2CES1
SCHEMBL115897 0.71 CA2 (0.48) CES2CA2CES1
Dodecanoate SCHEMBL5520172 0.70 GPR84 (0.50)
SCHEMBL3957297 0.70 CPT2 (0.48)
SCHEMBL1626363 0.70 CPT2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305142-A1 CONTACT LENS TREATING SOLUTION Bausch + Lomb Ireland Limited (IE) 2024-01-17 EP disclosed
EP-4305143-A1 PRESERVATIVE-FREE CONTACT LENS TREATING SOLUTION Bausch + Lomb Ireland Limited (IE) 2024-01-17 EP disclosed
WO-2022189552-A1 PRESERVATIVE-FREE CONTACT LENS TREATING SOLUTION BAUSCH + LOMB IRELAND LIMITED (IE) 2022-09-15 WO disclosed
US-10603382-B2 Ophthalmic composition JOHNSON & JOHNSON CONSUMER INC. (US) 2020-03-31 US disclosed
US-10441658-B2 Ophthalmic composition JOHNSON & JOHNSON CONSUMER INC. (US) 2019-10-15 US disclosed
US-20190184016-A1 OPHTHALMIC COMPOSITION KENVUE BRANDS LLC 2019-06-20 US disclosed
US-10245324-B2 Ophthalmic composition JOHNSON & JOHNSON CONSUMER INC. (US) 2019-04-02 US disclosed
US-20180250408-A9 OPHTHALMIC COMPOSITION KENVUE BRANDS LLC 2018-09-06 US disclosed
US-9943622-B2 Minimizing biological lipid deposits on contact lenses BAUSCH & LOMB INCORPORATED (US) 2018-04-17 US disclosed
US-9884782-B2 Treatment of glass surfaces for improved adhesion CORNING INCORPORATED (US) 2018-02-06 US disclosed
US-20090196845-A1 OPTHALMIC COMPOSITIONS WITH AN AMPHOTERIC SURFACTANT AND AN ANIONIC BIOPOLYMER SALIX PHARMACEUTICALS, LTD. 2009-08-06 US disclosed
US-20090196846-A1 OPHTHALMIC COMPOSITIONS WITH AN AMPHOTERIC SURFACTANT AND HYALURONIC ACID BAUSCH HEALTH AMERICAS, INC. 2009-08-06 US disclosed
WO-2009097028-A1 OPHTHALMIC COMPOSITIONS WITH AN AMPHOTERIC SURFACTANT AND HYALURONIC ACID BAUSCH & LOMB INCORPORATED (US) 2009-08-06 WO disclosed
WO-2009032433-A1 OPHTHALMIC COMPOSITIONS COMPRISING A CARBOXYL-MODIFIED FRUCTAN OR A SALT THEREOF BAUSCH & LOMB INCORPORATED (US) 2009-03-12 WO disclosed
US-20090036554-A1 OPHTHALMIC COMPOSITIONS COMPRISING A TERPENE COMPOUND BAUSCH & LOMB INCORPORATED 2009-02-05 US disclosed
WO-2009018060-A1 OPHTHALMIC COMPOSITIONS COMPRISING A TERPENE AND A NATURAL POLYMER BAUSCH & LOMB INCORPORATED (US) 2009-02-05 WO disclosed
US-20090036404-A1 OPHTHALMIC COMPOSITIONS COMPRISING A CARBOXYL-MODIFIED FRUCTAN OR A SALT THEREOF ISTA PHARMACEUTICALS 2009-02-05 US disclosed
WO-2008157140-A1 OPHTHALMIC COMPOSITION WITH HYALURONIC ACID BAUSCH & LOMB INCORPORATED (US) 2008-12-24 WO disclosed
US-20080311070-A1 OPHTHALMIC COMPOSITION WITH HYALURONIC ACID BAUSCH & LOMB INCORPORATED 2008-12-18 US disclosed
US-20080312182-A1 OPHTHALMIC COMPOSITION WITH HYALURONIC ACID AND POLYMERIC BIGUANIDE BAUSCH HEALTH US, LLC 2008-12-18 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 (11 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-20080312182-A1 OPHTHALMIC COMPOSITION WITH HYALURONIC ACID AND POLYMERIC BIGUANIDE PDE6C, PDE6H, CD44 CES2 3487/4885CA2 1609/4885CES1 4561/4885
US-20180250408-A9 OPHTHALMIC COMPOSITION UACA, HTT, EYA3 CES2 4867/4885CA2 2252/4885CES1 4612/4885
US-20080311070-A1 OPHTHALMIC COMPOSITION WITH HYALURONIC ACID UACA, GLMN, HBG1 CES2 2920/4885CA2 1550/4885CES1 4563/4885
US-10245324-B2 Ophthalmic composition UACA, HTT, EYA3 CES2 4867/4885CA2 2252/4885CES1 4612/4885
US-20090196845-A1 OPTHALMIC COMPOSITIONS WITH AN AMPHOTERIC SURFACTANT AND AN ANIONIC BIOPOLYMER H1-0, H1-2, H1-3 CES2 2156/4885CA2 220/4885CES1 3419/4885
US-10441658-B2 Ophthalmic composition UACA, HTT, EYA3 CES2 4867/4885CA2 2252/4885CES1 4612/4885
US-20090036554-A1 OPHTHALMIC COMPOSITIONS COMPRISING A TERPENE COMPOUND CRYZ, CRYAB, HDAC6 CES2 4110/4885CA2 2231/4885CES1 3803/4885
US-20090196846-A1 OPHTHALMIC COMPOSITIONS WITH AN AMPHOTERIC SURFACTANT AND HYALURONIC ACID H1-0, H1-2, H1-3 CES2 3599/4885CA2 747/4885CES1 3974/4885
US-20090036404-A1 OPHTHALMIC COMPOSITIONS COMPRISING A CARBOXYL-MODIFIED FRUCTAN OR A SALT THEREOF CRYZ, ACMSD, UACA CES2 3222/4885CA2 113/4885CES1 2183/4885
US-20190184016-A1 OPHTHALMIC COMPOSITION UACA, HTT, EYA3 CES2 4867/4885CA2 2252/4885CES1 4612/4885
US-10603382-B2 Ophthalmic composition UACA, HTT, EYA3 CES2 4867/4885CA2 2252/4885CES1 4612/4885

“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.