SCHEMBL6428445

SCHEMBL6428445

C[Si](C)(C)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
DPP4 P27487 1/20 0.44
PBRM1 Q86U86 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.42
FEN1 P39748 1/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
RAB9A P51151 1/20 0.41
DHODH Q02127 2/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL9809004 0.87 ALDH1A1 (0.45) ALDH1A1DPP4PBRM1KDM4EHSD17B10
SCHEMBL6430433 0.85 ALDH1A1 (0.63) ALDH1A1KDM4ETSHRFEN1RAB9A
SCHEMBL7218124 0.83 TSHR (0.51) ALDH1A1PBRM1HSD17B10TSHRFEN1
SCHEMBL7219663 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRFEN1RAB9A
SCHEMBL7219666 0.81 ALDH1A1 (0.38) ALDH1A1TSHRFEN1RAB9ALMNA
SCHEMBL6429960 0.80 POLB (0.52) ALDH1A1KDM4ETSHRRAB9AKMT2A
SCHEMBL6428937 0.80 DOT1L (0.50) ALDH1A1KDM4EFEN1RAB9AGAA
SCHEMBL27521668 0.79 ALDH1A1 (0.41) ALDH1A1TSHRFEN1RAB9AKMT2A
SCHEMBL80183 0.79 ALDH1A1 (0.64) ALDH1A1DPP4PBRM1KDM4EHSD17B10
SCHEMBL7854774 0.79 PTGS2 (0.58) RAB9AKMT2ALMNAGAAMAPT

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 36 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
US-6924396-B2 α-haloenamine reagents PHARMACIA CORPORATION (US) 2005-08-02 US 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
EP-1421056-A1 (ALPHA)-HALOENAMINE REAGENTS Pharmacia Corporation (US) 2004-05-26 EP disclosed
US-20040092770-A1 Alpha-haloenamine reagents PHARMACIA CORPORATION 2004-05-13 US disclosed
US-6677487-B2 COMBINING A TERTIARY AMIDE WITH A PENTAVALENT PHOSPHOROUS HALIDE IN A SOLVENT TO FORM AN ALPHA - HALOIMINIUM SALT AND CONVERTING THE ALPHA -HALOIMINIUM SALT TO THE ALPHA -HALOENAMINE WITH A BASE PHARMACIA CORPORATION 2004-01-13 US 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
CN-1085221-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1994-04-13 CN 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-20040092770-A1 Alpha-haloenamine reagents HNMT, HDHD5, NISCH ALDH1A1 373/4885DPP4 3043/4885PBRM1 2073/4885

“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.