SCHEMBL203796

SCHEMBL203796

COC(C)=C(C(=O)O)c1ccccc1Oc1cc(Oc2ccccc2C)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSP90AA1 P07900 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.38
KDR P35968 1/20 0.38
RAF1 P04049 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7633885 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTLMNAALDH1A1NPC1
SCHEMBL203795 0.89 SMN1; SMN2 (0.44) SMN1; SMN2MAPTLMNAALDH1A1NPC1
SCHEMBL203517 0.88 KDR (0.39) SMN1; SMN2LMNAALDH1A1NPC1HTT
SCHEMBL7758309 0.88 KDR (0.39) SMN1; SMN2LMNAALDH1A1NPC1HTT
SCHEMBL709626 0.88 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL27075764 0.88 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL202841 0.87 MEN1 (0.38) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL7066068 0.87 MEN1 (0.38) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL8522027 0.86 MEN1 (0.40) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL8975110 0.85 MEN1 (0.37) SMN1; SMN2MAPTLMNAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150144027-A1 PARTICULATE WOOD PRESERVATIVE AND METHOD FOR PRODUCING THE SAME KOPPERS INC. (F/K/A KOPPERS INDUSTRIES, INC.) 2015-05-28 US disclosed
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-8409627-B2 Particulate wood preservative and method for producing the same OSMOSE, INC. (US) 2013-04-02 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
US-20090280185-A1 Particulate wood preservative and method for producing the same PHIBROWOOD, LLC (US) 2009-11-12 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-2002015693-A1 SYNERGISTIC BIOCIDAL COMPOSITION THOR GMBH (DE) 2002-02-28 WO disclosed
WO-2001024634-A1 ACTIVE INGREDIENT COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed
US-6197799-B1 PLANT SAFENING AGENTS; PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
US-5622546-A Mould-resistant emulsion paints BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
WO-1997001547-A1 BENZAZOLE DERIVATIVES WITH MICROBIOCIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 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
EP-0705160-A1 FUNGICIDAL ACTIVE-SUBSTANCE COMBINATION BAYER AG (DE) 1996-04-10 EP disclosed
WO-1995034204-A1 BACTERICIDE THIADIAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1995-12-21 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-1995000303-A1 FUNGICIDAL ACTIVE-SUBSTANCE COMBINATION BAYER AKTIENGESELLSCHAFT (DE) 1995-01-05 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 (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-20100249194-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 SMN1; SMN2 3774/4885MAPT 4885/4885LMNA 4191/4885
US-20130324457-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 SMN1; SMN2 3774/4885MAPT 4885/4885LMNA 4191/4885

“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.