SCHEMBL3141136

SCHEMBL3141136

CC(C)([O])C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
SSTR4 P31391 2/20 0.34
CYP1A2 P05177 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30

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
SCHEMBL3146301 0.97
SCHEMBL3145974 0.90
SCHEMBL1679060 0.83
SCHEMBL3145841 0.75 EPHX1 (0.31) EPHX1SSTR4CYP1A2PDK1PDK2
SCHEMBL2846774 0.73 CES2 (0.33) CES2CES1
SCHEMBL237296 0.73 CES2 (0.33) CES2CES1
SCHEMBL7738636 0.73 EPHX1 (0.48) EPHX1SSTR4CYP1A2
SCHEMBL93482 0.73 EPHX1 (0.48) EPHX1SSTR4CYP1A2
SCHEMBL7738664 0.73 EPHX1 (0.48) EPHX1SSTR4CYP1A2
SCHEMBL7739874 0.73 EPHX1 (0.48) EPHX1SSTR4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100325757-A1 FUNGICIDAL COMPOSITIONS AND THEIR APPLICATIONS IN AGRICULTURE MONSANTO TECHNOLOGY, LLC (US) 2010-12-23 US disclosed
EP-2193711-A2 Fungicidal compositions and their applications in agriculture Monsanto Technology LLC (US) 2010-06-09 EP disclosed
US-7687434-B2 Method of improving yield and vigor of plants MONSANTO TECHNOLOGY, LLC (US) 2010-03-30 US disclosed
EP-1088481-B1 Fungicides for the control of take-all disease of plants MONSANTO TECHNOLOGY LLC (US) 2009-07-15 EP disclosed
US-20080242548-A1 Method of microencapsulating an agricultural active having a high melting point and uses for such materials MONSANTO TECHNOLOGY, L.L.C. (US) 2008-10-02 US disclosed
US-20080139506-A1 Fungicidal compositions and their applications in agriculture MONSANTO TECHNOLOGY LLC. (US) 2008-06-12 US disclosed
US-7098170-B2 Method of improving yield and vigor of plants by treatment with triazole and strobilurin-type fungicides MONSANTO TECHNOLOGY LLC (US) 2006-08-29 US disclosed
EP-1377161-B1 MICROENCAPSULATING OF AN AGRICULTURAL ACTIVE HAVING A HIGH MELTING POINT MONSANTO TECHNOLOGY LLC (US) 2006-06-21 EP disclosed
US-6992047-B2 Method of microencapsulating an agricultural active having a high melting point and uses for such materials MONSANTO TECHNOLOGY LLC (US) 2006-01-31 US disclosed
US-20050233905-A1 Method of improving yield and vigor of plants MONSANTO TECHNOLOGY, L.L.C. (US) 2005-10-20 US 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
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP 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 (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-20100325757-A1 FUNGICIDAL COMPOSITIONS AND THEIR APPLICATIONS IN AGRICULTURE STS, FLNB, STOM EPHX1 2588/4885SSTR4 493/4885CYP1A2 128/4885
US-20080139506-A1 Fungicidal compositions and their applications in agriculture STS, STOM, SFXN3 EPHX1 2972/4885SSTR4 586/4885CYP1A2 142/4885
US-20050233905-A1 Method of improving yield and vigor of plants TST, DBF4, PFAS EPHX1 2893/4885SSTR4 1997/4885CYP1A2 775/4885
US-20080242548-A1 Method of microencapsulating an agricultural active having a high melting point and uses for such materials LIPA, CEL, LIPE EPHX1 1987/4885SSTR4 4405/4885CYP1A2 1155/4885

“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.