SCHEMBL6209034

SCHEMBL6209034

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TTR P02766 1/20 0.33
NOS3 P29474 4/20 0.32
NOS1 P29475 4/20 0.32
NOS2 P35228 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MPI P34949 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 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
SCHEMBL6210004 0.84 LMNA (0.33) LMNAALDH1A1MAPK1HTTNOS3
SCHEMBL755432 0.82 ALDH1A1 (0.47) LMNAALDH1A1MAPK1HTTNOS3
SCHEMBL6209087 0.81 HTR5A (0.35) LMNAMAPK1HTTMEN1KMT2A
SCHEMBL6208563 0.80 KCNA3 (0.37) MAPK1MEN1KMT2ATP53
SCHEMBL6209213 0.79 ALDH1A1 (0.33) LMNAALDH1A1MAPK1HTTMAPT
SCHEMBL6937426 0.78 KCNA3 (0.38) MAPK1MEN1KMT2ATP53
SCHEMBL14582121 0.77 ALDH1A1 (0.42) ALDH1A1MAPK1HTTNOS3NOS1
SCHEMBL11914175 0.76 GMNN (0.30) LMNAALDH1A1MAPT
SCHEMBL6208251 0.76 ALDH1A1 (0.38) LMNAALDH1A1MAPK1HTTTTR
SCHEMBL15463133 0.75 ALDH1A1 (0.41) LMNAALDH1A1MAPK1HTTNOS3

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 15 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
US-6592722-B2 Comprising a quinone diimide compound and a nitroxyl compound GE BETZ, INC. 2003-07-15 US claimed
US-20030030035-A1 Polymerization inhibitor for vinyl-containing materials GE BETZ, INC. 2003-02-13 US claimed
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 LMNA 2599/4885ALDH1A1 613/4885MAPK1 2633/4885

“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.