SCHEMBL45540

SCHEMBL45540

CCCCCC1=NOC(=O)C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 3/20 0.58
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
DHFR P00374 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
SCD O00767 1/20 0.34
CDC25A P30304 6/20 0.34
CDC25B P30305 6/20 0.34
CDC25C P30307 5/20 0.34
NOTUM Q6P988 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARA Q07869 1/20 0.33
CYP1A2 P05177 3/20 0.33

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
SCHEMBL8798229 0.98 SORT1 (0.56) SORT1ALDH1A1GAAMAPTTHRB
SCHEMBL11963993 0.94 SORT1 (0.59) SORT1ALDH1A1GAAMAPTTHRB
SCHEMBL15222747 0.73 SORT1 (0.58) SORT1NOTUM
SCHEMBL11022532 0.71 SORT1 (0.55) SORT1ALDH1A1CDC25ACDC25BCDC25C
SCHEMBL452497 0.67 ACHE (0.35) ALDH1A1GAAMAPTTHRBDHFR
SCHEMBL4887906 0.65 GAA (0.41) ALDH1A1GAAMAPTTHRBDHFR
SCHEMBL11685919 0.64 DHFR (0.50) ALDH1A1MAPTTHRBDHFRACHE
SCHEMBL1324152 0.64 MEN1 (0.33) ALDH1A1GAAMAPTTHRBDHFR
SCHEMBL9662341 0.63 ACHE (0.35) ALDH1A1THRBDHFRACHEBACE1
SCHEMBL4611630 0.61 CDC25A (0.44) ALDH1A1MAPTTHRBACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100989-A1 3-Aryl-4-(2-thienylmethylene)isoxazol-5(4H)-ones as Fungicides BAYER CROPSCIENCE AG (DE) 2012-04-26 US claimed
US-20120065063-A1 3-Aryl-4-(2,6-dimethylbenzylidene)isoxazol-5(4H)-ones as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 US claimed
JP-3730661-B2 2006-01-05 JP claimed
EP-0711270-B1 Polymers comprising 4-substituted cyclohexane units COMMW SCIENT IND RES ORG (AU) 2001-12-19 EP claimed
US-5830966-A Cyclopolymerization monomers and polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-03 US claimed
EP-0711270-A4 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMW SCIENT IND RES ORG (AU) 1997-02-26 EP claimed
EP-0711270-A1 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-05-15 EP claimed
WO-1995004026-A1 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-02-09 WO claimed
US-20120100989-A1 3-Aryl-4-(2-thienylmethylene)isoxazol-5(4H)-ones as Fungicides BAYER CROPSCIENCE AG (DE) 2012-04-26 US disclosed
US-20120065063-A1 3-Aryl-4-(2,6-dimethylbenzylidene)isoxazol-5(4H)-ones as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
WO-2011161035-A1 3-ARYL-4-(2-THIENYLMETHYLENE)-ISOXAZOL-5(4H)-ONES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-29 WO disclosed
WO-2011161034-A1 3-ARYL-4-(2,6-DIMETHYLBENZYLIDENE)-ISOXAZOL-5(4H)-ONES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-29 WO disclosed
EP-0711270-B1 Polymers comprising 4-substituted cyclohexane units COMMW SCIENT IND RES ORG (AU) 2001-12-19 EP disclosed
US-5830966-A Cyclopolymerization monomers and polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-03 US disclosed
WO-1995004026-A1 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-02-09 WO disclosed
WO-1995004109-A1 AQUEOUS DISPERSIONS CONTAINING CYCLOPOLYMER DISPERSANTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-02-09 WO disclosed
EP-0199323-A3 4-SUBSTITUTED AMINOALKYLIDENE-3-ARYL-5(4H) ISOXAZOLINES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-28 EP disclosed
EP-0199323-A3 4-SUBSTITUTED AMINOALKYLIDENE-3-ARYL-5(4H) ISOXAZOLINES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-28 EP disclosed
EP-0199323-A2 4-Substituted aminoalkylidene-3-aryl-5(4H) isoxazolines, process for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-29 EP disclosed
EP-0199323-A2 4-Substituted aminoalkylidene-3-aryl-5(4H) isoxazolines, process for their preparation, medicaments containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-29 EP 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-20120100989-A1 3-Aryl-4-(2-thienylmethylene)isoxazol-5(4H)-ones as Fungicides CYP4X1, CYP4Z1, TH SORT1 3306/4885ALDH1A1 924/4885GAA 1296/4885
US-20120065063-A1 3-Aryl-4-(2,6-dimethylbenzylidene)isoxazol-5(4H)-ones as Fungicides CYP4X1, CYP4Z1, HAAO SORT1 3102/4885ALDH1A1 1041/4885GAA 827/4885

“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.