SCHEMBL3660175

SCHEMBL3660175

C=CCc1cccc2[nH]c(O)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AKR1B1 P15121 1/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ PKM P14618 1/20 0.35
▸ GAA P10253 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL2163311 0.82 MAPT (0.40) GABRA1GABRB2MAPTLMNAMAPK1
SCHEMBL1075197 0.81 NUDT1 (0.44) GABRA1GABRB2MAPTLMNAMAPK1
SCHEMBL3658175 0.79 CNR2 (0.40) GABRA1GABRB2MAPTLMNAMAPK1
SCHEMBL1984812 0.78 L3MBTL1 (0.48) GABRA1GABRB2MAPTLMNAMAPK1
SCHEMBL11853656 0.76 PKN1 (0.37) GABRA1GABRB2MAPTLMNAMAPK1
SCHEMBL10400677 0.76 MAOB (0.45) MAPTLMNAMAPK1NPC1HTT
SCHEMBL3660178 0.74 GABRA1 (0.46) GABRA1GABRB2MAPTLMNAMAPK1
SCHEMBL8097979 0.72 GABRA1 (0.51) GABRA1GABRB2MAPTLMNAMAPK1
SCHEMBL4314003 0.71 ACHE (0.46) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL10634828 0.71 GRIN2B (0.50) GABRA1GABRB2MAPTLMNAHTT

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 1153/4885MAPT 4487/4885
US-20070179193-A1 Method for preparing aqueous composition for sterilization CYP19A1, OGDH, SDHB GABRA1 1368/4885GABRB2 1504/4885MAPT 4651/4885

“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.

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