SCHEMBL1602604

SCHEMBL1602604

CC(=O)OCCCOC(=O)C=CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ALDH1A1 P00352 4/20 0.45
HCAR2 Q8TDS4 4/20 0.42
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.36
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
CYP3A4 P08684 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRNB2 P17787 1/20 0.35
TBXA2R P21731 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL440642 0.85 ATM (0.47) ATMALDH1A1HCAR2RAB9AMAPT
SCHEMBL24797 0.83 ATM (0.70) ATMALDH1A1HCAR2RAB9AMAPT
SCHEMBL4888147 0.82 ATM (0.48) ATMALDH1A1HCAR2RAB9AMAPT
SCHEMBL540751 0.81 ATM (0.47) ATMALDH1A1HCAR2RAB9AMAPT
SCHEMBL1452125 0.81 HCAR2 (0.62) ATMHCAR2RAB9AMAPTNPSR1
SCHEMBL11799306 0.81 ATM (0.45) ATMALDH1A1HCAR2RAB9AMAPT
SCHEMBL4888251 0.81 ATM (0.61) ATMALDH1A1HCAR2RAB9AMAPT
SCHEMBL4892566 0.81 ATM (0.52) ATMALDH1A1HCAR2RAB9AMAPT
SCHEMBL19625969 0.80 ATM (0.54) ATMALDH1A1HCAR2RAB9AMAPT
SCHEMBL15229292 0.80 HCAR2 (0.64) ATMHCAR2RAB9AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100112036-A1 Cyanoacrylate-based liquid microbial sealant drape ADHEZION BIOMEDICAL, LLC. (US) 2010-05-06 US claimed
WO-2010051445-A2 CYANOACRYLATE-BASED LIQUID MICROBIAL SEALANT DRAPE ADHEZION BIOMEDICAL, LLC. (US) 2010-05-06 WO claimed
US-5665107-A Surface opening adhesive sealer HEMODYNAMICS, INC. (US) 1997-09-09 US claimed
US-5653730-A Surface opening adhesive sealer HEMODYNAMICS, INC. (US) 1997-08-05 US claimed
US-5529577-A Surface opening adhesive sealer HEMODYNAMICS, INC. (US) 1996-06-25 US claimed
US-5383899-A Method of using a surface opening adhesive sealer HEMODYNAMICS, INC. 1995-01-24 US claimed
US-9717699-B2 Sterilized compositions of cyanoacrylate monomers and naphthoquinone 2,3-oxides ADHEZION BIOMEDICAL, LLC (US) 2017-08-01 US disclosed
US-20160331700-A1 Sterilized Compositions of Cyanoacrylate Monomers and Naphthoquinone 2,3-Oxides H.B. FULLER MEDICAL ADHESIVE TECHNOLOGIES, LLC. 2016-11-17 US disclosed
US-9421297-B2 Sterilized compositions of cyanoacrylate monomers and naphthoquinone 2,3-oxides ADHEZION BIOMEDICAL, LLC (US) 2016-08-23 US disclosed
US-9254133-B2 Sterilized liquid compositions of cyanoacrylate monomer mixtures ADHEZION BIOMEDICAL, LLC (US) 2016-02-09 US disclosed
US-20150283290-A1 STERILIZED COMPOSITIONS OF CYANOACRYLATE MONOMERS AND NAPHTHOQUINONE 2,3-OXIDES ADHEZION BIOMEDICAL, LLC (US) 2015-10-08 US disclosed
US-20140163610-A1 STERILIZED LIQUID COMPOSITIONS OF CYANOACRYLATE MONOMER MIXTURES ADHEZION BIOMEDICAL, LLC (US) 2014-06-12 US disclosed
US-8652510-B2 Sterilized liquid compositions of cyanoacrylate monomer mixtures ADHEZION BIOMEDICAL, LLC (US) 2014-02-18 US disclosed
US-5653730-A Surface opening adhesive sealer HEMODYNAMICS, INC. (US) 1997-08-05 US disclosed
EP-0777508-A1 ADJUSTABLE SURGICAL RETRACTOR HAMMERSLAG, Julius, G (US) 1997-06-11 EP disclosed
US-5529577-A Surface opening adhesive sealer HEMODYNAMICS, INC. (US) 1996-06-25 US disclosed
WO-1996005881-A1 ADJUSTABLE SURGICAL RETRACTOR HAMMERSLAG JULIUS G (US) 1996-02-29 WO disclosed
WO-1995008951-A9 VASCULAR PATCH APPLICATOR 1995-06-22 WO disclosed
WO-1995008951-A1 VASCULAR PATCH APPLICATOR HEMODYNAMICS (US) 1995-04-06 WO disclosed
US-5383899-A Method of using a surface opening adhesive sealer HEMODYNAMICS, INC. 1995-01-24 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-20160331700-A1 Sterilized Compositions of Cyanoacrylate Monomers and Naphthoquinone 2,3-Oxides PROC, CCNK, MMS19 ATM 1010/4885ALDH1A1 1806/4885HCAR2 3501/4885

“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.