SCHEMBL3655840

SCHEMBL3655840

C=CCc1ccc2sc(S)nc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 7/20 0.33
KMT2A Q03164 7/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
AKR1B1 P15121 1/20 0.33
PKM P14618 3/20 0.32
MAPT P10636 4/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ELANE P08246 1/20 0.30
NPSR1 Q6W5P4 2/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30
USP2 O75604 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
SCHEMBL4740097 0.83
SCHEMBL3654543 0.80 NPC1 (0.30)
SCHEMBL2360291 0.78 GABRA1 (0.39) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL8956528 0.73 PDPK1 (0.35)
SCHEMBL15676646 0.70 GABRA1 (0.64) GABRA1GABRB2L3MBTL1MEN1KMT2A
2-Allylphenol SCHEMBL11656594 0.69 MAPT (0.42) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL10616638 0.67 CCR1 (0.45) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL1814299 0.66 ALDH1A1 (0.47) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL2360344 0.66 GABRA1 (0.46) GABRA1GABRB2L3MBTL1MEN1KMT2A
SCHEMBL18387440 0.66 GABRA1 (0.46) GABRA1GABRB2L3MBTL1MEN1KMT2A

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-1858841-B1 COMPOSITION FOR STERILIZATION COMPRISING OMEGA-ALKOXYPEROXYCARBOXYLIC ACID FUJIFILM CORP (JP) 2014-11-26 EP disclosed
US-7666354-B2 Composition for sterilization comprising ω-alkoxyperoxycarboxylic acid FUJIFILM CORPORATION (JP) 2010-02-23 US disclosed
EP-1858841-A4 COMPOSITION FOR STERILIZATION COMPRISING w-ALKOXYPEROXYCARBOXYLIC ACID FUJIFILM CORP (JP) 2009-03-18 EP disclosed
US-20080009549-A1 Composition for Sterilization Comprising W-Alkoxyperoxycarboxylic Acid FUJIFILM CORPORATION (JP) 2008-01-10 US disclosed
EP-1858841-A2 COMPOSITION FOR STERILIZATION COMPRISING w-ALKOXYPEROXYCARBOXYLIC ACID FUJIFILM Corporation (JP) 2007-11-28 EP disclosed
US-20070179193-A1 Method for preparing aqueous composition for sterilization FUJIFILM CORPORATION (JP) 2007-08-02 US disclosed
EP-1803350-A2 Method for preparing aqueous composition for sterilization Fujifilm Corporation (JP) 2007-07-04 EP disclosed
WO-2006068306-A2 COMPOSITION FOR STERILIZATION COMPRISING ω-ALKOXYPEROXYCARBOXYLIC ACID FUJIFILM CORPORATION (JP) 2006-06-29 WO disclosed
EP-0957683-A4 HYDROGEN PEROXIDE DISINFECTING AND STERILIZING COMPOSITIONS METREX RES CORP (US) 2002-05-15 EP disclosed
EP-0957683-A1 HYDROGEN PEROXIDE DISINFECTING AND STERILIZING COMPOSITIONS Metrex Research Corporation (US) 1999-11-24 EP disclosed
US-5900256-A AQUEOUS, CORROSION RESISTANCE COTTRELL, LTD. (US) 1999-05-04 US disclosed
WO-1998011777-A1 HYDROGEN PEROXIDE DISINFECTING AND STERILIZING COMPOSITIONS COTTRELL, LTD. (US) 1998-03-26 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 (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-20080009549-A1 Composition for Sterilization Comprising W-Alkoxyperoxycarboxylic Acid OGDH, OXGR1, AKR1C3 GABRA1 848/4885GABRB2 1153/4885L3MBTL1 2893/4885
US-20070179193-A1 Method for preparing aqueous composition for sterilization CYP19A1, OGDH, SDHB GABRA1 1368/4885GABRB2 1504/4885L3MBTL1 4848/4885

“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.