SCHEMBL1201743

SCHEMBL1201743

O=C(OC1=CC(=O)C2CCC1C2)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 1/20 0.44
SLC6A3 Q01959 2/20 0.42
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLA P06280 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NR1I2 O75469 1/20 0.36
TP53 P04637 1/20 0.36
AHR P35869 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1202751 0.85 KMT2A (0.43) KMT2AMAPTLMNACYP2C19CYP1A2
SCHEMBL609760 0.73 CYP19A1 (0.36)
SCHEMBL6099839 0.71 THRB (0.32) SLC6A3
SCHEMBL14236682 0.67 KMT2A (0.45) KMT2AMAPTHPGDLMNACYP2D6
SCHEMBL1969939 0.66 L3MBTL1 (0.57) MAPTHPGDLMNACYP2D6CYP2C19
SCHEMBL610755 0.65 KMT2A (0.69) KMT2AMAPTHPGDCYP1A2CYP2C9
SCHEMBL28003430 0.65 KMT2A (0.69) KMT2AMAPTHPGDCYP1A2CYP2C9
SCHEMBL10599787 0.65 KMT2A (0.69) KMT2AMAPTHPGDCYP1A2CYP2C9
SCHEMBL9683516 0.65 KMT2A (0.69) KMT2AMAPTHPGDCYP1A2CYP2C9
SCHEMBL607707 0.63 MAOA (0.30)

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756059-B1 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES SYNGENTA PARTICIPATIONS AG (CH) 2014-05-07 EP disclosed
EP-1756059-B1 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES SYNGENTA PARTICIPATIONS AG (CH) 2014-05-07 EP disclosed
EP-1740524-B1 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES SYNGENTA PARTICIPATIONS AG (CH) 2012-12-12 EP disclosed
US-7893270-B2 Reacting 2,4,4-tribromobicyclo[3.2.1]oct-2-ene in chlorobenzene with acetonitrile and sulfuric acid to produce 4-bromo-bicyclo[3.2.1]oct-3-en-2-one SYNGENTA CROP PROTECTION, INC. (US) 2011-02-22 US disclosed
US-7893270-B2 Reacting 2,4,4-tribromobicyclo[3.2.1]oct-2-ene in chlorobenzene with acetonitrile and sulfuric acid to produce 4-bromo-bicyclo[3.2.1]oct-3-en-2-one SYNGENTA CROP PROTECTION, INC. (US) 2011-02-22 US disclosed
US-7893270-B2 Reacting 2,4,4-tribromobicyclo[3.2.1]oct-2-ene in chlorobenzene with acetonitrile and sulfuric acid to produce 4-bromo-bicyclo[3.2.1]oct-3-en-2-one SYNGENTA CROP PROTECTION, INC. (US) 2011-02-22 US disclosed
US-7501544-B2 Process for the production of cyclic diketones SYNGENTA CROP PROTECTION, INC. (US) 2009-03-10 US disclosed
US-7501544-B2 Process for the production of cyclic diketones SYNGENTA CROP PROTECTION, INC. (US) 2009-03-10 US disclosed
US-7501544-B2 Process for the production of cyclic diketones SYNGENTA CROP PROTECTION, INC. (US) 2009-03-10 US disclosed
US-20080139816-A1 Process For the Production of Cyclic Diketones SYNGENTA CROP PROTECTION, INC. (US) 2008-06-12 US disclosed
US-20080139816-A1 Process For the Production of Cyclic Diketones SYNGENTA CROP PROTECTION, INC. (US) 2008-06-12 US disclosed
US-20080139816-A1 Process For the Production of Cyclic Diketones SYNGENTA CROP PROTECTION, INC. (US) 2008-06-12 US disclosed
US-20070232837-A1 Process for the Production of Cyclic Diketones SYNGENTA CROP PROTECTION, INC. (US) 2007-10-04 US disclosed
US-20070232837-A1 Process for the Production of Cyclic Diketones SYNGENTA CROP PROTECTION, INC. (US) 2007-10-04 US disclosed
US-20070232837-A1 Process for the Production of Cyclic Diketones SYNGENTA CROP PROTECTION, INC. (US) 2007-10-04 US disclosed
EP-1756059-A1 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES Syngeta Participations AG (CH) 2007-02-28 EP disclosed
EP-1740524-A2 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES Syngeta Participations AG (CH) 2007-01-10 EP disclosed
WO-2005105718-A2 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES SYNGENTA PARTICIPATIONS AG (CH) 2005-11-10 WO disclosed
WO-2005105745-A1 PROCESS FOR THE PRODUCTION OF CYCLIC DIKETONES SYNGENTA PARTICIPATIONS AG (CH) 2005-11-10 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 (2 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-20070232837-A1 Process for the Production of Cyclic Diketones CA9, ACAD9, F9 KMT2A 3019/4885MAPT 4489/4885HPGD 3033/4885
US-20080139816-A1 Process For the Production of Cyclic Diketones BCKDK, KCNJ1, KCNJ11 KMT2A 1751/4885MAPT 3792/4885HPGD 1240/4885

“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.