SCHEMBL540819

SCHEMBL540819

C=C(C#N)C(=O)OC(CCC)CC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
CYP2C9 P11712 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2297614 0.96 ALDH1A1 (0.50) ALDH1A1TSHRCYP2C9
SCHEMBL1990973 0.92 ALDH1A1 (0.51) ALDH1A1TSHRCYP2C9MGAMGAA
SCHEMBL1987524 0.91 TSHR (0.50) ALDH1A1TSHRCYP2C9GAAMEN1
SCHEMBL1990863 0.88 ALDH1A1 (0.57) ALDH1A1TSHRCYP2C9MGAMGAA
SCHEMBL15519449 0.85 ALDH1A1 (0.53) ALDH1A1TSHRTDP1
SCHEMBL12335165 0.82 MGAM (0.39) ALDH1A1TSHRMGAMGAASI
SCHEMBL15519639 0.82 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL540851 0.81 ALDH1A1 (0.59) ALDH1A1TSHRCYP2C9MGAMGAA
SCHEMBL1984781 0.80 ALDH1A1 (0.54) ALDH1A1TSHRCYP2C9MGAMGAA
SCHEMBL3183024 0.79 TSHR (0.47) ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515954-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE Advanced Technologies and Regenerative Medicine, LLC (US) 2012-10-31 EP claimed
WO-2011087722-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC (US) 2011-07-21 WO claimed
US-20110152924-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE ADVANCED TECHNOLOGIES AND REGENERATIVE MEDICINE, LLC 2011-06-23 US claimed
US-8475825-B2 Cyanoacrylate initiator system ETHICON, INC. (US) 2013-07-02 US disclosed
EP-2515954-A1 OXIDIZED REGENERATED CELLULOSE ADHESIVE TAPE Advanced Technologies and Regenerative Medicine, LLC (US) 2012-10-31 EP disclosed
US-8287202-B2 Method for dispensing a polymerizable monomer adhesive ETHICON, INC. (US) 2012-10-16 US disclosed
US-8287202-B2 Method for dispensing a polymerizable monomer adhesive ETHICON, INC. (US) 2012-10-16 US disclosed
US-20120160867-A1 DISPENSER WITH A FRANGIBLE CONTAINER AND A ROTATING BREAKING MEMBER, FOR DISPENSING A POLYMERIZABLE MONOMER ADHESIVE CLOSURE MEDICAL CORPORATION 2012-06-28 US disclosed
US-20120160867-A1 DISPENSER WITH A FRANGIBLE CONTAINER AND A ROTATING BREAKING MEMBER, FOR DISPENSING A POLYMERIZABLE MONOMER ADHESIVE CLOSURE MEDICAL CORPORATION 2012-06-28 US disclosed
US-8153743-B2 Controlled exotherm of cyanoacrylate formulations CLOSURE MEDICAL CORPORATION (US) 2012-04-10 US disclosed
US-8118508-B2 Dispenser with a frangible container and a rotating breaking member, for dispensing a polymerizable monomer adhesive CLOSURE MEDICAL CORPORATION (US) 2012-02-21 US disclosed
WO-2007106688-A1 A METHOD FOR PRODUCING A CYANOACRYLATE MONOMER ETHICON, INC. (US) 2007-09-20 WO disclosed
US-20070213553-A1 Method for producing a cyanoacrylate monomer ETHICON, INC. 2007-09-13 US disclosed
US-20070213553-A1 Method for producing a cyanoacrylate monomer ETHICON, INC. 2007-09-13 US disclosed
US-20070213553-A1 Method for producing a cyanoacrylate monomer ETHICON, INC. 2007-09-13 US disclosed
US-7238828-B2 Absorbable α-cyanoacrylate compositions ETHICON, INC. (US) 2007-07-03 US disclosed
US-7238828-B2 Absorbable α-cyanoacrylate compositions ETHICON, INC. (US) 2007-07-03 US disclosed
US-7238828-B2 Absorbable α-cyanoacrylate compositions ETHICON, INC. (US) 2007-07-03 US disclosed
US-20060216266-A1 Absorbable alpha-cyanoacrylate compositions ETHICON, INC. 2006-09-28 US disclosed
WO-2006102385-A1 ABSORBABLE ALPHA-CYANOACRYLATE COMPOSITIONS ETHICON, INC. (US) 2006-09-28 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 (2 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-20070213553-A1 Method for producing a cyanoacrylate monomer FGB, PCCA, ALDOA ALDH1A1 296/4885TSHR 4558/4885CYP2C9 2843/4885
US-20060216266-A1 Absorbable alpha-cyanoacrylate compositions GJA1, HBG1, GLRA1 ALDH1A1 588/4885TSHR 3872/4885CYP2C9 939/4885

“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.