SCHEMBL1015846

SCHEMBL1015846

CC(=O)c1cc[n+]([O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 2/20 0.45
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HSD17B1 P14061 1/20 0.43
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
Toluene SCHEMBL27408625 0.86 MAPT (0.47) KMT2AMEN1MAPK1MAPTHPGD
SCHEMBL1270758 0.77 MEN1 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL30505 0.77 HPGD (0.46) KMT2AMAPK1MAPTHPGDL3MBTL1
Acetic Acid SCHEMBL145430 0.76 MAPK1 (0.47) KMT2AMEN1MAPK1MAPTHPGD
SCHEMBL19037386 0.75 KMT2A (0.50) KMT2AMEN1MAPK1MAPTHPGD
Bromide SCHEMBL145328 0.75 HPGD (0.44) KMT2AMAPK1MAPTHPGDL3MBTL1
SCHEMBL16882497 0.75 NOS3 (0.45) KMT2AMAPK1MAPTHPGDL3MBTL1
SCHEMBL8821085 0.75 MAPT (0.44) KMT2AMAPK1MAPTHPGDL3MBTL1
Hydrochloric Acid SCHEMBL152518 0.75 HPGD (0.44) KMT2AMAPK1MAPTHPGDL3MBTL1
SCHEMBL12689688 0.75 MAPT (0.44) KMT2AMAPK1MAPTHPGDL3MBTL1

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7344656-B2 Storing a composition in an alcoholic gel TRUOX, INC. (US) 2008-03-18 US claimed
WO-2005013913-A2 PEROXYGEN CONTAINING PARTICLE IN AN ALCOHOL CONTAINING GEL MATERIALS TECHNOLOGY LABORATORIES, INC. (US) 2005-02-17 WO claimed
US-20050032660-A1 Storing a composition in an alcoholic gel TRUOX, INC. 2005-02-10 US claimed
WO-1999023197-A1 PROCESSES OF SOAKING FABRICS WITH A LIQUID AQUEOUS PERSULFATE SALT-CONTAINING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023196-A1 LIQUID AQUEOUS BLEACHING COMPOSITIONS PACKAGED IN A UV RESISTANT CONTAINER THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023294-A1 PROCESSES OF BLEACHING FABRICS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
WO-1999023195-A1 MULTI-PURPOSE LIQUID AQUEOUS BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-05-14 WO claimed
EP-0915150-A1 Processes of soaking fabrics with a liquid aqueous persulfate salt-containing composition THE PROCTER & GAMBLE COMPANY (US) 1999-05-12 EP claimed
EP-0913463-A1 Multi-purpose liquid aqueous bleaching compositions THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
EP-0913462-A1 Liquid aqueous bleaching compositions packaged in a UV-resistant container THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
EP-0913515-A1 Process of bleaching fabrics THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 EP claimed
EP-0839339-A1 PHOTOGRAPHIC SYSTEM POLAROID CORPORATION (US) 1998-05-06 EP claimed
EP-0397474-B1 Photosensitive composition TOSHIBA KK (JP) 1997-12-10 EP claimed
WO-1997043691-A1 PHOTOGRAPHIC SYSTEM POLAROID CORPORATION (US) 1997-11-20 WO claimed
US-5604079-A DIFFUSION TRANSFER PHOTOGRAPHIC FILM UNIT UTILIZING ACYLPYRIDINE-N-OXIDE COMPOUND POLAROID CORPORATION (US) 1997-02-18 US claimed
EP-0397474-A2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 1990-11-14 EP claimed
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 US disclosed
EP-3154954-B1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2022-02-09 EP disclosed
US-4550186-A ANTITUMOR, ANTILIPEMIC, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS DUKE UNIVERSITY (US) 1985-10-29 US disclosed
US-4006092-A PEROXY COMPOUND, ALDEHYDE OR KETONE, VINYL POLYMER, BUFFER THE PROCTER & GAMBLE COMPANY (US) 1977-02-01 US 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-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 KMT2A 942/4885MEN1 2740/4885MAPK1 1769/4885

“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.