SCHEMBL344012

SCHEMBL344012

CON=C(C(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
ALDH1A1 P00352 7/20 0.68
CNR1 P21554 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
CTSD P07339 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
TP53 P04637 2/20 0.53
THRB P10828 2/20 0.53
TRPM5 Q9NZQ8 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL344011 1.00 GAA (0.69) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL7621213 0.93 GAA (0.60) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL7922325 0.91 GAA (0.67) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL19718613 0.90 GAA (0.71) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL344325 0.90 ALDH1A1 (0.67) GAAALDH1A1LMNACA12CA1
SCHEMBL344512 0.90 ALDH1A1 (0.55) GAAALDH1A1SMN1; SMN2CA12CA1
SCHEMBL344511 0.90 ALDH1A1 (0.55) GAAALDH1A1SMN1; SMN2CA12CA1
SCHEMBL344326 0.90 ALDH1A1 (0.67) GAAALDH1A1LMNACA12CA1
SCHEMBL6816514 0.89 GAA (0.56) GAAALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL6816519 0.89 GAA (0.56) GAAALDH1A1CNR1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-02 US claimed
CN-104170838-A ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG 2014-12-03 CN claimed
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 US claimed
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-01 US claimed
EP-2023724-B8 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2012-06-06 EP claimed
US-20120015910-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2012-01-19 US claimed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 US claimed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US claimed
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 US claimed
US-20100190645-A1 SYNERGISTIC FUNGICIDAL ACTIVE COMPOUND COMBINATIONS COMPRISING FORMONONETIN PLANT HEALTH CARE, INC. 2010-07-29 US claimed
EP-2023724-A2 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2009-02-18 EP claimed
WO-2009012907-A1 SYNERGISTIC FUNGICIDAL ACTIVE GENISTEIN COMBINATIONS BAYER CROPSCIENCE AG (DE) 2009-01-29 WO claimed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 US claimed
WO-2008092580-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN BAYER CROPSCIENCE AG (DE) 2008-08-07 WO claimed
EP-1895846-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2008-03-12 EP claimed
EP-1871167-A2 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2008-01-02 EP claimed
WO-2007134778-A2 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-11-29 WO claimed
WO-2007101547-A2 SYNERGISTIC COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AG (DE) 2007-09-13 WO claimed
WO-2006131246-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
WO-2006105888-A2 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-10-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN GAA 17/4885ALDH1A1 4519/4885CNR1 4676/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 GAA 132/4885ALDH1A1 219/4885CNR1 533/4885
US-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 GAA 346/4885ALDH1A1 241/4885CNR1 1449/4885
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations CYP1A2, CAT, CYP51A1 GAA 237/4885ALDH1A1 148/4885CNR1 995/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN GAA 17/4885ALDH1A1 4519/4885CNR1 4676/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT GAA 263/4885ALDH1A1 972/4885CNR1 653/4885
US-20120015910-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 GAA 423/4885ALDH1A1 106/4885CNR1 573/4885
US-20100190645-A1 SYNERGISTIC FUNGICIDAL ACTIVE COMPOUND COMBINATIONS COMPRISING FORMONONETIN CYP51A1, ERG28, CYP3A7 GAA 489/4885ALDH1A1 2061/4885CNR1 4838/4885
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations CYP51A1, CYP1A2, CYP4X1 GAA 423/4885ALDH1A1 106/4885CNR1 573/4885

“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.