SCHEMBL3658175

SCHEMBL3658175

C=CCc1cccc2[nH]c(C(=O)O)nc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL9587953 0.81 GRIN2D (0.49) CNR2MAPTTDP1KDM4EHPGD
SCHEMBL10400677 0.80 MAOB (0.45) MAPTTP53TDP1KDM4EHPGD
SCHEMBL3660175 0.79 GABRA1 (0.46) MAPTTP53GABRA1GABRB2KDM4E
SCHEMBL9588105 0.78 CHRM1 (0.46) CNR2TDP1KDM4EPARP1
SCHEMBL2163311 0.77 MAPT (0.40) MAPTTP53GABRA1GABRB2NPC1
SCHEMBL3658177 0.77 MAPT (0.40) MAPTTP53TDP1GABRA1GABRB2
SCHEMBL9588283 0.77 GRIN2D (0.48) CNR2KDM4EHPGDPIN1
SCHEMBL9588601 0.77 CNR2 (0.43) CNR2KDM4EHPGDPIN1DHODH
SCHEMBL1984812 0.76 L3MBTL1 (0.48) MAPTTP53TDP1GABRA1GABRB2
SCHEMBL9591447 0.76 MEN1 (0.43) CNR2MAPTTDP1KDM4EMAPK1

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 CNR2 524/4885MAPT 4487/4885TP53 2350/4885
US-20070179193-A1 Method for preparing aqueous composition for sterilization CYP19A1, OGDH, SDHB CNR2 1656/4885MAPT 4651/4885TP53 3173/4885

“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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