SCHEMBL2358688

SCHEMBL2358688

CCO[n+]1ccccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
CA4 P22748 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
APP P05067 2/20 0.32
TP53 P04637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 2/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28331237 0.86 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2402517 0.78 APP (0.34) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2327341 0.78 CA1 (0.38) CA4CA12CA1CA2CA7
SCHEMBL2327075 0.77 NPC1 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA2
Bromide SCHEMBL9623049 0.75 NPC1 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2322991 0.75 HDAC8 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA2
Iodide SCHEMBL5760651 0.75 NPC1 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL2330158 0.75 APP (0.32) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL28998131 0.73 RAB9A (0.37) CA4CA12CA1CA2CA7
SCHEMBL2327617 0.72 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA2

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-2356182-B1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2015-05-06 EP disclosed
US-20130299736-A1 RADIATION-CURABLE COATING MATERIALS BASE SE (DE) 2013-11-14 US disclosed
US-20110230617-A1 RADIATION-CURABLE COATING MATERIALS BASF SE (DE) 2011-09-22 US disclosed
EP-2356182-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2011-08-17 EP disclosed
US-20100126386-A1 RADIATION-CURABLE COATING SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2010-05-27 US disclosed
WO-2010055050-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2010-05-20 WO disclosed
WO-2008058885-A2 RADIATION-HARDENABLE COATING MASSES BASF SE (DE) 2008-05-22 WO disclosed
WO-2007138095-A1 USE OF STABILIZING COMPOSITIONS CONTAINING CYANINE CATIONS IN PACKAGING MATERIALS BASF SE (DE) 2007-12-06 WO disclosed
EP-1820064-A2 RADIATION-CURABLE COATING SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2006058731-A2 RADIATION-CURABLE COATING SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed
EP-0915136-B1 Photocurable paint composition for road markings SHOWA DENKO KK (JP) 2004-01-21 EP disclosed
US-6211260-B1 MARKING ROADS WITH CURABLE PAINT, FILLERS, GLASS BEADS, CATIONIC DYES AND QUATERNARY ORGANIC BORATES SHOWA DENKO K.K. (JP) 2001-04-03 US disclosed
US-6110987-A CURED PRODUCTS HAVING AN EXCELLENT APPEARANCE WITHOUT COLORING CAUSED BY POLYMERIZATION INITIATOR SHOWA DENKO K.K. (JP) 2000-08-29 US disclosed
EP-0915136-A1 Photocurable paint composition for road markings SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-05-12 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-20110230617-A1 RADIATION-CURABLE COATING MATERIALS RAD51, MGMT, RAD54L GABRG2 4567/4885GABRB3 4527/4885GABRA5 4450/4885

“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.