SCHEMBL30812

SCHEMBL30812

O=C(O)c1ccc2ccc3c(C(=O)O)cccc3c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.67
GRIN2D O15399 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2C Q14957 1/20 0.57
PLA2G2D Q9UNK4 1/20 0.56
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
ACE2 Q9BYF1 2/20 0.51
HSD17B10 Q99714 1/20 0.48
CDC25B P30305 1/20 0.46
PTPN11 Q06124 1/20 0.46
WDR5 P61964 1/20 0.44
SOS1 Q07889 2/20 0.44
PARP1 P09874 2/20 0.44
LDHA P00338 1/20 0.43
CSNK2A1 P68400 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL31500205 1.00 PTPN1 (0.67) PTPN1GRIN2DGRIN2AGRIN2CPLA2G2D
SCHEMBL10012998 0.88 GRIN2D (0.59) PTPN1GRIN2DGRIN2AGRIN2CPLA2G2D
SCHEMBL29407063 0.87 PTPN1 (0.73) PTPN1GRIN2DGRIN2AGRIN2CPLA2G2D
SCHEMBL9811132 0.87 PTPN1 (0.73) PTPN1GRIN2DGRIN2AGRIN2CPLA2G2D
SCHEMBL70529 0.87 PTPN1 (0.73) PTPN1GRIN2DGRIN2AGRIN2CPLA2G2D
SCHEMBL8734268 0.86 PTPN1 (0.71) PTPN1GRIN2DGRIN2AGRIN2CPLA2G2D
Hydrochloric Acid SCHEMBL21839297 0.86 PTPN1 (0.71) PTPN1GRIN2DGRIN2AGRIN2CPLA2G2D
SCHEMBL7746811 0.85 PTPN1 (0.87) PTPN1GRIN2DGRIN2AGRIN2CPLA2G2D
SCHEMBL8898819 0.84 PTPN1 (0.93) PTPN1GRIN2DGRIN2AGRIN2CPLA2G2D
SCHEMBL31742339 0.84 GRIN2D (0.67) PTPN1GRIN2DGRIN2AGRIN2CPLA2G2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479199-B1 POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING SAME DAINIPPON INK & CHEMICALS (JP) 2017-07-19 EP disclosed
US-8946374-B2 Polyether ester composition, polyurethane resin composition, and optical material using the same DIC CORPORATION (JP) 2015-02-03 US disclosed
US-8507612-B2 Aziridine crosslinking agents for acrylic adhesives 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-08-13 US disclosed
EP-2406338-B1 AZIRIDINE CROSSLINKING AGENTS FOR ACRYLIC ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2012-11-28 EP disclosed
EP-2479199-A1 POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING SAME DIC Corporation (JP) 2012-07-25 EP disclosed
US-20120172567-A1 POLYETHER ESTER COMPOSITION, POLYURETHANE RESIN COMPOSITION, AND OPTICAL MATERIAL USING THE SAME DIC CORPORATION (JP) 2012-07-05 US disclosed
EP-2406338-A1 AZIRIDINE CROSSLINKING AGENTS FOR ACRYLIC ADHESIVES 3M Innovative Properties Company (US) 2012-01-18 EP disclosed
WO-2010104645-A1 AZIRIDINE CROSSLINKING AGENTS FOR ACRYLIC ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-09-16 WO disclosed
US-20100227969-A1 AZIRIDINE CROSSLINKING AGENTS FOR ACRYLIC ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY 2010-09-09 US disclosed
EP-0774477-B1 Copolyesters and molded articles comprising the same KURARAY CO (JP) 2003-08-13 EP disclosed
US-5686553-A TEREPHTHALIC ACID AND ETHYLENE GLYCOL COMONOMERS; MOLDABILITY KURARAY CO., LTD. (JP) 1997-11-11 US disclosed
EP-0774477-A2 Copolyesters and molded articles comprising the same KURARAY CO., LTD. (JP) 1997-05-21 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 (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-20100227969-A1 AZIRIDINE CROSSLINKING AGENTS FOR ACRYLIC ADHESIVES AAAS, ADGRF1, CDH1 PTPN1 1607/4885GRIN2D 221/4885GRIN2A 271/4885

“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.