SCHEMBL6654840

SCHEMBL6654840

C=C(CCC(C)O)C(=O)O.CC(=O)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TET2 Q6N021 4/20 0.35
TET3 O43151 1/20 0.35
TET1 Q8NFU7 1/20 0.35
GAA P10253 1/20 0.32
CYP3A4 P08684 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 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
SCHEMBL6655220 0.89 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10TDP1TET2
SCHEMBL27792 0.88 ALDH1A1 (0.45) ALDH1A1HSD17B10TET2TET3TET1
Methacrylic Acid SCHEMBL7773092 0.86 ALDH1A1 (0.41) ALDH1A1TSHRTET2TET3TET1
Hydrochloric Acid SCHEMBL1961274 0.86 ALDH1A1 (0.43) ALDH1A1HSD17B10TET2TET3TET1
Trimethylammonium SCHEMBL8162324 0.82 ALDH1A1 (0.41) ALDH1A1TET2TET3TET1GAA
SCHEMBL6660495 0.82 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10TDP1TET2
Trimethylammonium SCHEMBL309601 0.81 ALDH1A1 (0.39) ALDH1A1TET2TET3TET1GAA
Trimethylammonium SCHEMBL5376671 0.81 ALDH1A1 (0.39) ALDH1A1TET2TET3TET1GAA
SCHEMBL21815496 0.81 TET2 (0.47) ALDH1A1TSHRHSD17B10TDP1TET2
Methacrylic Acid SCHEMBL5280757 0.80 ALDH1A1 (0.36) ALDH1A1TET2TET3TET1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160015654-A1 ADHESIVE COMPOSITION FOR MEDICAL USE, PATCH FOR MEDICAL USE, AND METHOD FOR PRODUCING THE COMPOSITION TOAGOSEI CO., LTD. (JP) 2016-01-21 US disclosed
US-20130095166-A1 ADHESIVE COMPOSITION FOR MEDICAL USE, PATCH FOR MEDICAL USE, AND METHOD FOR PRODUCING THE COMPOSITION TOAGOSEI CO., LTD. (JP) 2013-04-18 US disclosed
EP-0824127-B1 Water-type dispersion composition JSR CORP (JP) 2004-07-14 EP disclosed
US-6660394-B1 Siloxane-vinyl copolymer, oxazoline crosslinker and organo-metallic betaketone or multifunctional hydrazine; rapid low temperature curing; water, weather, chemical, acid, alkali and wear resistance; durable adhesion JSR CORPORATION (JP) 2003-12-09 US disclosed
US-5905109-A HYDROLYSIS AND CONDENSATION TO FORM POLYMERS WITH CATALYSTS JSR CORPORATION (JP) 1999-05-18 US disclosed
EP-0824127-A2 Water-type dispersion composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-02-18 EP 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-20130095166-A1 ADHESIVE COMPOSITION FOR MEDICAL USE, PATCH FOR MEDICAL USE, AND METHOD FOR PRODUCING THE COMPOSITION ACMSD, ADGRE5, EPN1 ALDH1A1 685/4885TSHR 4559/4885HSD17B10 3091/4885
US-20160015654-A1 ADHESIVE COMPOSITION FOR MEDICAL USE, PATCH FOR MEDICAL USE, AND METHOD FOR PRODUCING THE COMPOSITION ACMSD, ADGRE5, EPN1 ALDH1A1 685/4885TSHR 4559/4885HSD17B10 3091/4885

“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.