SCHEMBL35936

SCHEMBL35936

C=C(C)C(=O)OCCCCCCCCCCCC.C=C(CCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.75
TDP1 Q9NUW8 3/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
THRB P10828 2/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
NAAA Q02083 1/20 0.43
DGKA P23743 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX1 P07099 1/20 0.41
PPARG P37231 5/20 0.40
PPARD Q03181 5/20 0.40
PPARA Q07869 5/20 0.40
HDAC11 Q96DB2 4/20 0.40
GPR84 Q9NQS5 3/20 0.40

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
SCHEMBL31389037 1.00 TSHR (0.75) TSHRTDP1POLBAPEX1HTT
SCHEMBL8845137 1.00 TSHR (0.75) TSHRTDP1POLBAPEX1HTT
SCHEMBL1512983 1.00 TSHR (0.75) TSHRTDP1POLBAPEX1HTT
SCHEMBL8844654 1.00 TSHR (0.75) TSHRTDP1POLBAPEX1HTT
SCHEMBL664291 0.95 TSHR (0.67) TSHRTDP1POLBAPEX1HTT
SCHEMBL8846029 0.92 TSHR (0.59) TSHRTDP1POLBAPEX1HTT
SCHEMBL9420975 0.90 TSHR (0.64) TSHRTDP1POLBAPEX1HTT
Methacrylic Acid SCHEMBL15284903 0.89 TSHR (0.67) TSHRTDP1POLBAPEX1HTT
Methacrylic Acid SCHEMBL11249801 0.89 TSHR (0.67) TSHRTDP1POLBAPEX1HTT
SCHEMBL1109940 0.89 TSHR (0.57) TSHRTDP1THRBFNTAFNTB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110211-B2 Medicated coatings for implantable medical devices including polyacrylates ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2012-02-07 US disclosed
US-8058341-B2 Improved adhesion under wet or low-temperature conditions using a blend of acrylic or rubber base and a hydrophilic polymer selected from polyalkylene glycols, -vinylpyrrolidone, -vinyl alcohols and -(meth)acrylic acid NITTO DENKO CORPORATION (JP) 2011-11-15 US disclosed
US-8039103-B2 Adhesion against the dewing surface or wetting surface and having good peeling-preventing properties under constant load NITTO DENKO CORPORATION (JP) 2011-10-18 US disclosed
US-20110045444-A1 DENTAL FILLING COMPOSITION COMPRISING HYPERBRANCHED COMPOUND 3M INNOVATIVE PROPERTIES COMPANY 2011-02-24 US disclosed
US-20110034994-A1 STENTS WITH DRUG-CONTAINING AMPHIPHILIC POLYMER COATING LEWIS ANDREW L 2011-02-10 US disclosed
US-20110034995-A1 STENTS WITH DRUG-CONTAINING AMPHIPHILIC POLYMER COATING ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2011-02-10 US disclosed
US-7396868-B2 Moist surface adhesion; constant load peeling; workability; combination of high molecular weight polyalkylene glycol with polyvinylpyrrolidone, polyvinyl alcohol or acrylic ester copolymer; solvent free NITTO DENKO CORPORATION (JP) 2008-07-08 US disclosed
US-20050075444-A1 Aqueous dispersion type pressure-sensitive adhesive composition and pressure-sensitive adhesive product NITTO DENKO CORPORATION 2005-04-07 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-20110045444-A1 DENTAL FILLING COMPOSITION COMPRISING HYPERBRANCHED COMPOUND MMAB, CAD, MTHFD2 TSHR 4046/4885TDP1 570/4885POLB 171/4885

“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.