SCHEMBL1133320

SCHEMBL1133320

C=C(C)C(=O)N(CC)CC(O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
THRB P10828 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
SCHEMBL1260004 0.86 TSHR (0.31) LMNAMMP1MMP2MMP3MMP8
SCHEMBL21608 0.82 LMNA (0.40) LMNAMMP1MMP2MMP3MMP8
SCHEMBL28058262 0.80 LMNA (0.30) LMNA
SCHEMBL4552844 0.78 LMNA (0.34) LMNAMMP1MMP2MMP3MMP8
Acetic Acid SCHEMBL27406507 0.78 LMNA (0.37) LMNAMMP1MMP2MMP3MMP8
SCHEMBL1901431 0.76 LMNA (0.36) LMNAMMP1MMP2MMP3MMP8
SCHEMBL2698665 0.75
SCHEMBL18457667 0.74 CA12 (0.42) LMNAMMP1MMP2MMP3MMP8
Phosphoric Acid SCHEMBL28438604 0.74 MMP1 (0.48) LMNAMMP1MMP2MMP3MMP8
SCHEMBL1260015 0.74 TSHR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604902-B2 Selective synthesis of 2-octyl acrylate by acid catalyzed esterification of 2-octanol and acrylic acid 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-03-28 US disclosed
US-20160002140-A1 SELECTIVE SYNTHESIS OF 2-OCTYL ACRYLATE BY ACID CATALYZED ESTERIFICATION OF 2-OCTANOL AND ACRYLIC ACID 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-01-07 US disclosed
EP-2285929-A1 2-OCTYL (METH)ACRYLATE ADHESIVE COMPOSITION 3M Innovative Properties Company (US) 2011-02-23 EP disclosed
US-7893179-B2 With (meth)acrylic acid and primary octyl (meth)acrylate on a polyolefin, polystyrene, polyester, polyvinyl chloride, polyvinyl alcohol, polyurethane, polyvinylidene fluoride, or cellulose backing; good peel, shear and high heat resistance 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-22 US disclosed
US-20100151241-A1 2-Octyl (Meth)acrylate Adhesive Composition 3M INNOVATIVE PROPERTIES COMPANY 2010-06-17 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-20160002140-A1 SELECTIVE SYNTHESIS OF 2-OCTYL ACRYLATE BY ACID CATALYZED ESTERIFICATION OF 2-OCTANOL AND ACRYLIC ACID HACL2, FASN, OR10J3 LMNA 3428/4885MMP1 3862/4885MMP2 3067/4885

“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.