SCHEMBL7218335

SCHEMBL7218335

CCN(CC)C(=O)c1c(C(F)(F)F)cccc1[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.41
HPGD P15428 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 3/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
KIF11 P52732 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
PLK1 P53350 1/20 0.35
PLK3 Q9H4B4 1/20 0.35

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
SCHEMBL7224584 0.79 MLYCD (0.43) MLYCDHPGDKMT2AALDH1A1MAPT
SCHEMBL7845605 0.79 OPRM1 (0.47) HPGDTDP1KMT2AALDH1A1MAPT
SCHEMBL7218252 0.79 HPGD (0.41) HPGDTDP1KMT2AALDH1A1MAPT
SCHEMBL7217233 0.78 HPGD (0.39) MLYCDHPGDTDP1KMT2AALDH1A1
SCHEMBL7856726 0.78 GHSR (0.42) HPGDTDP1KMT2AALDH1A1MAPT
SCHEMBL7224747 0.77 HDAC4 (0.41) KMT2AKDM4ENR1H2NR1H3PLK1
SCHEMBL7219372 0.77 HPGD (0.38) MLYCDHPGDTDP1KMT2AALDH1A1
SCHEMBL7217825 0.77 HPGD (0.43) HPGDTDP1KMT2AALDH1A1MAPT
SCHEMBL7224016 0.75 HPGD (0.39) HPGDTDP1KMT2AALDH1A1MAPT
SCHEMBL7280761 0.75 CA12 (0.41) MLYCDHPGDTDP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415750-C Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2008-09-03 CN disclosed
CN-1772749-A Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2006-05-17 CN disclosed
CN-1239495-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2006-02-01 CN disclosed
CN-1636457-A Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2005-07-13 CN disclosed
CN-1188419-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2005-02-09 CN disclosed
CN-1188420-C Fungicides for control of take-all disease of plants MONSANTO CO (US) 2005-02-09 CN disclosed
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US disclosed
US-6410558-B1 USING INDOLE OR QUINOLINE COMPOUND MONSANTO TECHNOLOGY LLC 2002-06-25 US disclosed
US-20010046975-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-11-29 US disclosed
US-6252078-B1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY 2001-06-26 US disclosed
CN-1221745-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-07-07 CN disclosed
CN-1043835-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-06-30 CN disclosed
US-5849723-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-12-15 US disclosed
US-5834447-A THIOPHENE DERIVATIVES MONSANTO COMPANY (US) 1998-11-10 US disclosed
US-5811411-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1998-09-22 US disclosed
US-5705513-A HETEROCYCLIC FUNGICIDES WITH PYRIDINE OR FURAN RINGS MONSANTO COMPANY (US) 1998-01-06 US disclosed
US-5693667-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1997-12-02 US disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 EP 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 (1 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-20010046975-A1 Fungicides for the control of take-all disease of plants CNPY3, NAT1, CBR3 MLYCD 1747/4885HPGD 4230/4885TDP1 740/4885

“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.