SCHEMBL10170682

SCHEMBL10170682

CCC(C)C(O)(Cn1cncn1)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.48
CYP2C9 P11712 8/20 0.48
CYP2C19 P33261 8/20 0.48
CYP1A2 P05177 5/20 0.48
CYP2D6 P10635 5/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 1/20 0.45
LMNA P02545 3/20 0.44
CYP2B6 P20813 1/20 0.44
CYP3A5 P20815 1/20 0.44
CYP3A7 P24462 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP3A43 Q9HB55 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 2/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL9199721 0.92 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL7457064 0.92 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9521855 0.92 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9201276 0.92 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL6571622 0.92 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL7459977 0.90 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9521181 0.90 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9521191 0.90 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL10600188 0.88 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL9663206 0.88 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324130-B2 Synergistic active ingredient combinations BAYER CROPSCIENCE AG (DE) 2012-12-04 US disclosed
US-20120035050-A1 Synergistic Combinations Of Active Ingredients BAYER CROPSCIENCE AG (DE) 2012-02-09 US disclosed
US-20120015910-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2012-01-19 US disclosed
US-8039013-B2 Mixture containing spiroxamine , a azole and carboxamide BAYER CROPSCIENCE AG (DE) 2011-10-18 US disclosed
US-20110218100-A1 Synergistic Fungicidal Active Compound Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin BAYER CROPSCIENCE AG (DE) 2011-09-08 US disclosed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
EP-2279664-A1 Agent combinations Bayer CropScience AG (DE) 2011-02-02 EP disclosed
WO-2011006603-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES BAYER CROPSCIENCE AG (DE) 2011-01-20 WO disclosed
EP-2272368-A1 Agent combinations Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 EP disclosed
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin BAYER CROPSCIENCE AG (DE) 2009-11-19 US disclosed
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-11-12 US disclosed
US-20090227540-A1 TREATMENT OF WOOD BASED ON NOVEL FORMULATIONS OF BORATRANES TAPUAE PARTNERSHIP (NZ) 2009-09-10 US disclosed
WO-2009012907-A1 SYNERGISTIC FUNGICIDAL ACTIVE GENISTEIN COMBINATIONS BAYER CROPSCIENCE AG (DE) 2009-01-29 WO disclosed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 US disclosed
EP-2000028-A1 Fungicidal active agent compounds Bayer CropScience Aktiengesellschaft (DE) 2008-12-10 EP disclosed
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2008-10-30 US disclosed
US-20080269051-A1 For controlling phytopathogenic fungi BAYER CORPSCIENCE AG (DE) 2008-10-30 US disclosed
WO-2008092580-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN BAYER CROPSCIENCE AG (DE) 2008-08-07 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 (11 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 CYP3A4 1609/4885CYP2C9 1524/4885CYP2C19 2637/4885
US-20080269263-A1 Synergistic Fungidical Active Substance Combinations ERG28, MANBA, MAN2A1 CYP3A4 483/4885CYP2C9 1225/4885CYP2C19 1054/4885
US-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 CYP3A4 6/4885CYP2C9 10/4885CYP2C19 28/4885
US-20090227540-A1 TREATMENT OF WOOD BASED ON NOVEL FORMULATIONS OF BORATRANES BLVRB, BCHE, MGAM CYP3A4 91/4885CYP2C9 476/4885CYP2C19 1487/4885
US-20120035050-A1 Synergistic Combinations Of Active Ingredients C1S, MAN2B1, MANBA CYP3A4 1716/4885CYP2C9 2923/4885CYP2C19 3507/4885
US-20110218100-A1 Synergistic Fungicidal Active Compound Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin SUCLG1, ERG28, ME2 CYP3A4 594/4885CYP2C9 633/4885CYP2C19 876/4885
US-20080269051-A1 For controlling phytopathogenic fungi ERG28, CYP4X1, PFN1 CYP3A4 113/4885CYP2C9 460/4885CYP2C19 662/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT CYP3A4 175/4885CYP2C9 1522/4885CYP2C19 2517/4885
US-20120015910-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 CYP3A4 22/4885CYP2C9 61/4885CYP2C19 41/4885
US-20090286681-A1 Synergistic Fungicidal Active Compounde Combinations Containing a Carboxamide, an Azole, a Second Azole or a Strobilurin MGAM, SUCLG1, MGAM2 CYP3A4 398/4885CYP2C9 457/4885CYP2C19 567/4885
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS CYP51A1, ERG28, CYP4X1 CYP3A4 24/4885CYP2C9 54/4885CYP2C19 96/4885

“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.