SCHEMBL202840

SCHEMBL202840

CC(C)=C(C(=O)O)c1ccccc1Oc1cc(Oc2cccc(C)n2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SYK P43405 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL202841 0.90 MEN1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7066068 0.90 MEN1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL203795 0.86 SMN1; SMN2 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2857220 0.84 CYP1A2 (0.36) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL203516 0.83 RAF1 (0.39) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL709625 0.82 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL203207 0.82 GCK (0.38) KMT2A
SCHEMBL8522022 0.81 L3MBTL1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2SYK
SCHEMBL21858895 0.81 CYP1A2 (0.36) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2857223 0.81 CYP1A2 (0.36) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130324457-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF AVENTIS AGRICULTURE (FR) 2013-12-05 US disclosed
US-8445519-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof AVENTIS AGRICULTURE (FR) 2013-05-21 US disclosed
US-8088801-B2 Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof MERIAL LIMITED (US) 2012-01-03 US disclosed
US-20100249194-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF MERIAL, INC. 2010-09-30 US disclosed
US-7659228-B2 Synergistic insecticide mixtures BAYER AKTIENGESELLSCHAFT (DE) 2010-02-09 US disclosed
EP-1651401-B1 PARTICULATE WOOD PRESERVATIVE AND METHOD FOR PRODUCING SAME PHIBROWOOD LLC (US) 2009-07-22 EP disclosed
EP-1651401-A2 PARTICULATE WOOD PRESERVATIVE AND METHOD FOR PRODUCING SAME Phibro-Tech, Inc. (US) 2006-05-03 EP disclosed
WO-2005007368-A2 PARTICULATE WOOD PRESERVATIVE AND METHOD FOR PRODUCING SAME PHIBRO-TECH, INC. (US) 2005-01-27 WO disclosed
US-20050009883-A1 Fipronil and chloropyridine or chlorothiazole derivatives as antagonists of nicotinic acetylcholine receptors; protection of industrial materials and plants. UHR HERMANN (DE) 2005-01-13 US disclosed
US-20040258768-A1 An aqueous solution of injectable particles of sparingly soluble copper salts not easily leached, yet with sustained microbiocidal and insecticidal effectiveness; impregnation by injection OSMOSE, INC 2004-12-23 US disclosed
US-5622546-A Mould-resistant emulsion paints BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
WO-1997008140-A1 N-SULFONYLIMINODITHIO COMPOUNDS USEFUL FOR PLANT AND MATERIAL PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed
WO-1997001547-A1 BENZAZOLE DERIVATIVES WITH MICROBIOCIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
WO-1996032235-A1 TIMBER PRESERVATIVE CONTAINING A COPPER COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1996-10-17 WO disclosed
EP-0730517-A1 TIMBER PRESERVATIVE CONTAINING A COPPER COMPOUND BAYER AG (DE) 1996-09-11 EP disclosed
WO-1996025044-A1 S-ARYL CYANIMIDOTHIO COMPOUNDS FOR MATERIAL PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed
EP-0726710-A1 STABILISATION OF IODINE COMPOUNDS USING INORGANIC SUPPORTING MATERIALS FOR USE IN MATERIAL PROTECTION BAYER AG (DE) 1996-08-21 EP disclosed
WO-1995014558-A1 TIMBER PRESERVATIVE CONTAINING A COPPER COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1995-06-01 WO disclosed
WO-1995012315-A1 STABILISATION OF IODINE COMPOUNDS USING INORGANIC SUPPORTING MATERIALS FOR USE IN MATERIAL PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1995-05-11 WO disclosed
WO-1995011786-A1 TIMBER PROTECTING MEDIUM CONTAINING A COPPER COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1995-05-04 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 (3 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-20100249194-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 ALDH1A1 3762/4885CYP1A2 175/4885CYP3A4 306/4885
US-20050009883-A1 Fipronil and chloropyridine or chlorothiazole derivatives as antagonists of nicotinic acetylcholine receptors; protection of industrial materials and plants. CHRM3, CHRNA5, CHRNE ALDH1A1 2938/4885CYP1A2 1016/4885CYP3A4 657/4885
US-20130324457-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 ALDH1A1 3762/4885CYP1A2 175/4885CYP3A4 306/4885

“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.