SCHEMBL10170730

SCHEMBL10170730

CC1(C)CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
AR P10275 1/20 0.54
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.41
GRM4 Q14833 1/20 0.39
ELANE P08246 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ITGAL P20701 3/20 0.38
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
CYP11B2 P19099 1/20 0.38
BCL2A1 Q16548 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
SCHEMBL10457761 0.80 TSHR (0.51) TSHRARKMT2AMEN1PKM
SCHEMBL10855612 0.76 ALDH1A1 (0.51) ARKMT2AMEN1ELANEALDH1A1
Procymidone SCHEMBL23093 0.73 TSHR (1.00) TSHRKMT2AMEN1ELANEUSP2
SCHEMBL9637492 0.73 AR (0.52) TSHRARKMT2APKMELANE
SCHEMBL2510494 0.73 AR (0.52) ARKMT2AMEN1PKMUSP2
Procymidone SCHEMBL9806377 0.72 TSHR (0.96) TSHRKMT2AMEN1ELANEUSP2
SCHEMBL11044888 0.71 TSHR (0.42) TSHRARKMT2AMEN1PKM
SCHEMBL2275042 0.71 ALDH1A1 (0.59) ARKMT2AMEN1ALDH1A1
SCHEMBL13689506 0.71 AR (0.51) TSHRARKMT2AMEN1PKM
SCHEMBL1935538 0.69 HPN (0.59) TSHRARKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015910-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2012-01-19 US disclosed
EP-2364592-A1 Synergetic fungicide substance combinations Bayer Cropscience AG (DE) 2011-09-14 EP disclosed
EP-2356905-A1 Synergetic fungicide substance combinations Bayer Cropscience AG (DE) 2011-08-17 EP disclosed
EP-2356906-A1 Synergetic fungicide substance combinations Bayer Cropscience AG (DE) 2011-08-17 EP disclosed
EP-2319308-A2 Fungicidal composition comprising fluoxastrobin and a further fungicidal agent Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2011006603-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES BAYER CROPSCIENCE AG (DE) 2011-01-20 WO disclosed
EP-2258198-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-08 EP disclosed
EP-2255656-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed
EP-2255658-A1 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed
EP-2255648-A2 Agent combinations Bayer CropScience AG (DE) 2010-12-01 EP disclosed
EP-2220936-A2 Synergistic fungicidal combinations Bayer CropScience AG (DE) 2010-08-25 EP disclosed
EP-2220937-A2 Synergistic fungicidal combinations Bayer CropScience AG (DE) 2010-08-25 EP disclosed
EP-2220938-A2 Synergistic fungicidal combinations Bayer CropScience AG (DE) 2010-08-25 EP disclosed
EP-2132989-A2 Agent combinations Bayer CropScience AG (DE) 2009-12-16 EP disclosed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 US disclosed
WO-2008092580-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN BAYER CROPSCIENCE AG (DE) 2008-08-07 WO disclosed
US-20070298966-A1 Fungicidal Combinations of Active Ingredients BAYERCROPSCIENCE AG (DE) 2007-12-27 US disclosed
WO-2007104437-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-09-20 WO disclosed
WO-2007101547-A2 SYNERGISTIC COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AG (DE) 2007-09-13 WO disclosed
US-20070060579-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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 (4 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-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 TSHR 3062/4885AR 1600/4885KMT2A 1555/4885
US-20070060579-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 TSHR 2427/4885AR 1370/4885KMT2A 2104/4885
US-20120015910-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 TSHR 2427/4885AR 1370/4885KMT2A 2104/4885
US-20070298966-A1 Fungicidal Combinations of Active Ingredients DDT, CYP51A1, CYP4Z1 TSHR 3135/4885AR 4150/4885KMT2A 1906/4885

“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.