SCHEMBL993563

SCHEMBL993563

C1=CCC(OCC2CO2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 9/20 0.38
TDP1 Q9NUW8 3/20 0.38
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 2/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.35
GLA P06280 1/20 0.34
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL18548798 0.86 TSHR (0.38) TSHRALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL17085515 0.82 TSHR (0.44) TSHRALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL7079859 0.82 TSHR (0.44) TSHRALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL733109 0.77 TSHR (0.50) TSHRALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL732071 0.73 TSHR (0.46) TSHRALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL7876608 0.73 TSHR (0.46) TSHRALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL966870 0.73 TSHR (0.46) TSHRALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL14415206 0.71 TSHR (0.44) TSHRALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL14062955 0.71 TSHR (0.44) TSHRALDH1A1TDP1TP53SMN1; SMN2
SCHEMBL18697133 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448604-B1 HYDROGEL TISSUE ADHESIVE FOR MEDICAL USE ACTAMAX SURGICAL MATERIALS LLC (US) 2016-03-23 EP disclosed
US-8796242-B2 Hydrogel tissue adhesive for medical use ACTAMAX SURGICAL MATERIALS, LLC (US) 2014-08-05 US disclosed
US-8778326-B2 Hydrogel tissue adhesive for medical use ACTAMAX SURGICAL MATERIALS, LLC (US) 2014-07-15 US disclosed
US-8580951-B2 Aldehyde-functionalized polysaccharides ACTAMAX SURGICAL MATERIALS, LLC (US) 2013-11-12 US disclosed
US-8580950-B2 Aldehyde-functionalized polysaccharides ACTAMAX SURGICAL MATERIALS, LLC (US) 2013-11-12 US disclosed
US-8580950-B2 Aldehyde-functionalized polysaccharides ACTAMAX SURGICAL MATERIALS, LLC (US) 2013-11-12 US disclosed
US-8580950-B2 Aldehyde-functionalized polysaccharides ACTAMAX SURGICAL MATERIALS, LLC (US) 2013-11-12 US disclosed
US-20130261080-A1 HYDROGEL TISSUE ADHESIVE FOR MEDICAL USE ACTAMAX SURGICAL MATERIALS LLC (US) 2013-10-03 US disclosed
US-20120148523-A1 HYDROGEL TISSUE ADHESIVE FOR MEDICAL USE ACTAMAX SURGICAL MATERIALS LLC (US) 2012-06-14 US disclosed
US-20120142787-A1 ALDEHYDE-FUNCTIONALIZED POLYSACCHARIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-07 US disclosed
US-20120142787-A1 ALDEHYDE-FUNCTIONALIZED POLYSACCHARIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-07 US disclosed
US-20120142787-A1 ALDEHYDE-FUNCTIONALIZED POLYSACCHARIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-07 US disclosed
EP-2448604-A2 HYDROGEL TISSUE ADHESIVE FOR MEDICAL USE Actamax Surgical Materials LLC (US) 2012-05-09 EP disclosed
US-20120004194-A1 ALDEHYDE-FUNCTIONALIZED POLYSACCHARIDES E. I. DU PONT NEMOURS AND COMPANY (US) 2012-01-05 US disclosed
WO-2011002956-A1 ALDEHYDE-FUNCTIONALIZED POLYSACCHARIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-01-06 WO disclosed
WO-2011002888-A2 HYDROGEL TISSUE ADHESIVE FOR MEDICAL USE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-01-06 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 (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-20120142787-A1 ALDEHYDE-FUNCTIONALIZED POLYSACCHARIDES CD44, ALDH1A2, ALDH1A3 TSHR 3419/4885ALDH1A1 6/4885TDP1 2737/4885

“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.