SCHEMBL6209757

SCHEMBL6209757

CC(C)(C)N=C1C=CC(=Nc2ccccc2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOS3 P29474 2/20 0.31
▸ NOS1 P29475 2/20 0.31
▸ GAA P10253 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
SCHEMBL755432 0.82 ALDH1A1 (0.47) MAPK1HTTALDH1A1MAPTKDM4E
SCHEMBL20683941 0.80 MPI (0.46) ALDH1A1MPI
SCHEMBL21439929 0.80 MPI (0.46) ALDH1A1MPI
SCHEMBL19710947 0.76 — —
SCHEMBL6208251 0.76 ALDH1A1 (0.38) MAPK1HTTALDH1A1MAPTKDM4E
SCHEMBL15463133 0.75 ALDH1A1 (0.41) MAPK1HTTALDH1A1MAPTKDM4E
SCHEMBL20683979 0.74 ALDH1A1 (0.36) MAPK1HTTALDH1A1MAPTKDM4E
SCHEMBL20198346 0.74 ALOX12 (0.43) MAPK1HTTALDH1A1MAPTKDM4E
SCHEMBL12336906 0.72 ALDH1A1 (0.43) MAPK1HTTALDH1A1MAPTKDM4E
SCHEMBL19387269 0.72 MPI (0.40) MAPK1HTTMAPTMEN1MPI

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090526-B2 Synergistic combination for inhibiting polymerization of vinyl monomers NALCO COMPANY (US) 2015-07-28 — — US claimed
EP-1305279-B1 POLYMERIZATION INHIBITOR FOR VINYL-CONTAINING MATERIALS GE BETZ INC (US) 2005-02-23 — — EP claimed
JP-2004504369-A — — 2004-02-12 — — JP claimed
US-6592722-B2 Comprising a quinone diimide compound and a nitroxyl compound GE BETZ, INC. 2003-07-15 — — US claimed
EP-1305279-A2 POLYMERIZATION INHIBITOR FOR VINYL-CONTAINING MATERIALS GE Betz, Inc. (US) 2003-05-02 — — EP claimed
US-20030030035-A1 Polymerization inhibitor for vinyl-containing materials GE BETZ, INC. 2003-02-13 — — US claimed
WO-2002008161-A2 POLYMERIZATION INHIBITOR FOR VINYL-CONTAINING MATERIALS HERCULES INCORPORATED (US) 2002-01-31 — — WO claimed
US-10199657-B2 Alkaline metal-air battery cathode IONIC MATERIALS, INC. (US) 2019-02-05 — — US disclosed
US-20170092958-A1 ALKALINE METAL-AIR BATTERY CATHODE IONIC MATERIALS, INC. 2017-03-30 — — US disclosed
EP-2726451-B1 SYNERGISTIC COMBINATION FOR INHIIBITING POLYMERIZATION OF VINYL MONOMERS NALCO CO (US) 2017-03-22 — — EP disclosed
US-9090526-B2 Synergistic combination for inhibiting polymerization of vinyl monomers NALCO COMPANY (US) 2015-07-28 — — US disclosed
US-20120316369-A1 SYNERGISTIC COMBINATION FOR INHIIBITING POLYMERIZATION OF VINYL MONOMERS ECOLAB USA INC. 2012-12-13 — — US disclosed
EP-1305279-B1 POLYMERIZATION INHIBITOR FOR VINYL-CONTAINING MATERIALS GE BETZ INC (US) 2005-02-23 — — EP disclosed
US-6592722-B2 Comprising a quinone diimide compound and a nitroxyl compound GE BETZ, INC. 2003-07-15 — — US disclosed
EP-1305279-A2 POLYMERIZATION INHIBITOR FOR VINYL-CONTAINING MATERIALS GE Betz, Inc. (US) 2003-05-02 — — EP disclosed
US-20030030035-A1 Polymerization inhibitor for vinyl-containing materials GE BETZ, INC. 2003-02-13 — — US disclosed
US-6447649-B1 SYNERGISTIC MIXTURE OF A QUINONE DIIMIDE AND HYDROQUINONE GE BETZ, INC. 2002-09-10 — — US disclosed
WO-2002008161-A2 POLYMERIZATION INHIBITOR FOR VINYL-CONTAINING MATERIALS HERCULES INCORPORATED (US) 2002-01-31 — — WO disclosed
US-5562863-A UTILIZING 2,6-DI-TERT-BUTYL-4-METHYLPHENOL AND SUBSTITUTED BENZOQUINONEDIIMIDE TO PREVENT STYRENE POLYMERIZATION BETZ LABORATORIES, INC. (US) 1996-10-08 — — US disclosed
US-5470440-A 2,6-di-tert-butyl-4-methylphenol and a substituted benzoquinonediimide BETZ LABORATORIES, INC. (US) 1995-11-28 — — 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-20120316369-A1 SYNERGISTIC COMBINATION FOR INHIIBITING POLYMERIZATION OF VINYL MONOMERS QDPR, SDHA, BLVRB MAPK1 2633/4885HTT 1795/4885ALDH1A1 613/4885

“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.

Send feedback