SCHEMBL4581824

SCHEMBL4581824

C=C(C#N)C(=O)OCCCCCCCCCCCCOC(=O)C(=C)C#N

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 1/20 0.40
DNM1 Q05193 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAAA Q02083 1/20 0.33
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.31
THRB P10828 1/20 0.31
ACHE P22303 6/20 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
SCHEMBL4581421 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4DNM1POLB
SCHEMBL11672299 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4DNM1POLB
SCHEMBL1983908 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4DNM1POLB
SCHEMBL1982599 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4DNM1POLB
SCHEMBL1982870 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4DNM1POLB
SCHEMBL11674143 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4DNM1POLB
SCHEMBL4580407 0.98 TSHR (0.63) TSHRALDH1A1CYP3A4DNM1POLB
SCHEMBL4578754 0.93 TSHR (0.63) TSHRALDH1A1CYP3A4DNM1POLB
SCHEMBL28009667 0.92 TSHR (0.53) TSHRALDH1A1CYP3A4DNM1POLB
SCHEMBL9337209 0.92 TSHR (0.53) TSHRALDH1A1CYP3A4DNM1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4194523-A1 CYANOACRYLATE ADHESIVE COMPOSITION Cuantum Medical Cosmetics, S.L. (ES) 2023-06-14 EP claimed
EP-4194523-A1 CYANOACRYLATE ADHESIVE COMPOSITION Cuantum Medical Cosmetics, S.L. (ES) 2023-06-14 EP disclosed
US-7341716-B2 Occlusive composition BOSTON SCIENTIFIC SCIMED, INC. (US) 2008-03-11 US disclosed
EP-1494999-B1 OCCLUSIVE COMPOSITION COMPRISING A POLY(2-CYANOACRYLATE) MONOMER BOSTON SCIENT LTD (BB) 2006-06-07 EP disclosed
EP-1494999-A1 OCCLUSIVE COMPOSITION COMPRISING A POLY(2-CYANOACRYLATE) MONOMER Boston Scientific Limited (BB) 2005-01-12 EP disclosed
WO-2003087042-A1 OCCLUSIVE COMPOSITION COMPRISING A POLY (2-CYANOACRYLATE) MONOMER BOSTON SCIENTIFIC LIMITED (BB) 2003-10-23 WO disclosed
US-20030194389-A1 Occlusive composition STRYKER CORPORATION 2003-10-16 US disclosed
US-4041062-A CROSSLINKING AGENTS FOR DENTAL ADHESIVE, SEALING OR COATING POLYMERS JOHNSON & JOHNSON (US) 1977-08-09 US disclosed
US-4041063-A CROSSLINKING AGENTS FOR DENTAL ADHESIVE, SEALING OR COATING POLYMERS JOHNSON & JOHNSON (US) 1977-08-09 US disclosed
US-4041061-A CROSSLINKING AGENTS FOR DENTAL ADHESIVE, SEALING OR COATING POLYMERS JOHNSON & JOHNSON (US) 1977-08-09 US disclosed
US-4013703-A CROSSLINKING AGENTS; MONOMERS FOR ADHESIVE POLYMERS JOHNSON & JOHNSON (US) 1977-03-22 US disclosed
US-4012402-A Modified cyanoacrylate monomers and methods for preparation JOHNSON & JOHNSON (US) 1977-03-15 US disclosed
US-4003942-A CROSSLINKING AGENTS; DENTAL ADHESIVES JOHNSON & JOHNSON (US) 1977-01-18 US disclosed
US-3975422-A Preparation of bis (2-cyanoacrylate)monomers JOHNSON & JOHNSON (US) 1976-08-17 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-20030194389-A1 Occlusive composition C3AR1, F12, FGB TSHR 3434/4885ALDH1A1 1135/4885CYP3A4 3829/4885

“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.