SCHEMBL438716

SCHEMBL438716

C=COC(=O)C(C)=CCCOC(=O)OCCC=C(C)C(=O)OC=C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.31

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
SCHEMBL28883893 0.79 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL1786343 0.79 CYP2D6 (0.33) CYP2D6CYP2C19
Acetic Acid SCHEMBL27770670 0.78 THRB (0.39) CYP2D6CYP2C19
SCHEMBL8197132 0.76 TSHR (0.37) CYP2D6CYP2C19
Alcohol SCHEMBL8673606 0.76 CYP2D6 (0.34) CYP2D6CYP2C19
SCHEMBL28144106 0.75 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL19278937 0.75 ALDH1A1 (0.31)
SCHEMBL3961508 0.75 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL3291840 0.74 EP300 (0.46) CYP2C19ALOX15
SCHEMBL27639718 0.74 EP300 (0.46) CYP2C19ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101698-B2 Surface active prepolymers with both fluorine-containing groups and hydrophilic groups BAUSCH & LOMB INCORPORATED (US) 2012-01-24 US disclosed
US-8071704-B2 Prepolymerizable surface active monomers with both fluorine-containing groups and hydrophilic groups BAUSCH & LOMB INCORPORATED (US) 2011-12-06 US disclosed
US-20110172374-A1 NOVEL SURFACE ACTIVE PREPOLYMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH HEALTH HOLDCO LIMITED (IE) 2011-07-14 US disclosed
US-7935770-B2 Surface active prepolymers with both fluorine-containing groups and hydrophilic groups BAUSCH & LOMB INCORPORATED (US) 2011-05-03 US disclosed
EP-2162474-B1 NOVEL SURFACE ACTIVE PREPOLYMERS WITH BOTH FLUORINE CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH & LOMB (US) 2011-01-19 EP disclosed
EP-2162474-A1 NOVEL SURFACE ACTIVE PREPOLYMERS WITH BOTH FLUORINE CONTAINING GROUPS AND HYDROPHILIC GROUPS Bausch & Lomb Incorporated (US) 2010-03-17 EP disclosed
US-20090092655-A1 NOVEL PREPOLYMERIZABLE SURFACE ACTIVE MONOMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS SOLTA MEDICAL DUTCH HOLDINGS B.V. (NL) 2009-04-09 US disclosed
WO-2009045886-A1 NOVEL POLYMERIZABLE SURFACE ACTIVE MONOMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH & LOMB INCORPORATED (US) 2009-04-09 WO disclosed
US-7482416-B2 Prepolymers for improved surface modification of contact lenses BAUSCH & LOMB INCORPORATED (US) 2009-01-27 US disclosed
US-20090012249-A1 NOVEL SURFACE ACTIVE PREPOLYMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH HEALTH HOLDCO LIMITED (IE) 2009-01-08 US disclosed
US-7176268-B2 Prepolymers for improved surface modification of contact lenses BAUSCH & LOMB INCORPORATED (US) 2007-02-13 US disclosed
EP-1706438-A1 NOVEL PREPOLYMERS FOR IMPROVED SURFACE MODIFICATION OF CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 2006-10-04 EP disclosed
US-20060217454-A1 Surface modification of contact lenses BAUSCH HEALTH, CANADA INC. / SANTE BAUSCH, CANADA INC. (CA) 2006-09-28 US disclosed
US-7084188-B2 Surface modification of contact lenses BAUSCH & LOMB INCORPORATED (US) 2006-08-01 US disclosed
WO-2006007252-A1 NOVEL PREPOLYMERS FOR IMPROVED SURFACE MODIFICATION OF CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 2006-01-19 WO disclosed
US-20050288466-A1 Novel prepolymers for improved surface modification of contact lenses BAUSCH HEALTH US, LLC 2005-12-29 US disclosed
WO-2005056651-A1 IMPROVED SURFACE MODIFICATION OF CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 2005-06-23 WO disclosed
WO-2005056625-A1 NOVEL PREPOLYMERS FOR IMPROVED SURFACE MODIFICATION OF CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 2005-06-23 WO disclosed
US-20050124776-A1 Novel prepolymers for improved surface modification of contact lenses BAUSCH HEALTH AMERICAS, INC. 2005-06-09 US disclosed
US-20050124719-A1 Surface modification of contact lenses 1530065 B.C. LTD. (CA) 2005-06-09 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 (1 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-20090092655-A1 NOVEL PREPOLYMERIZABLE SURFACE ACTIVE MONOMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS NOTUM, ITK, MFAP1 CYP2D6 4154/4885CYP2C19 2770/4885ALOX15 841/4885

“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.