SCHEMBL486920

SCHEMBL486920

CCCCCCCCC1CCCCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
EPHX1 P07099 1/20 0.42

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
SCHEMBL28396829 1.00 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL2635996 1.00 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL293147 1.00 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL27617282 1.00 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL7088283 1.00 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL25200172 1.00 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL29635083 0.98 CYP1A2 (0.45) CYP1A2EPHX1
SCHEMBL17848561 0.98 CYP1A2 (0.45) CYP1A2EPHX1
SCHEMBL6982564 0.98 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL6156814 0.97 CYP1A2 (0.46) CYP1A2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223807-B1 PESTICIDE AND/OR GROWTH REGULATING COMPOSITIONS WITH PARTICULAR NON-IONIC SURFACTANT BAYER CROPSCIENCE SA (FR) 2003-12-10 EP claimed
EP-1223807-A1 PESTICIDE AND/OR GROWTH REGULATING COMPOSITIONS WITH PARTICULAR NON-IONIC SURFACTANT AVENTIS CROPSCIENCE S.A. (FR) 2002-07-24 EP claimed
WO-2001030147-A1 NOVEL PESTICIDE AND/OR GROWTH REGULATING COMPOSITIONS WITH PARTICULAR NON-IONIC SURFACTANT AVENTIS CROPSCIENCE SA (FR) 2001-05-03 WO claimed
EP-1178031-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE DAICEL CHEM (JP) 2012-02-01 EP disclosed
EP-1223807-B1 PESTICIDE AND/OR GROWTH REGULATING COMPOSITIONS WITH PARTICULAR NON-IONIC SURFACTANT BAYER CROPSCIENCE SA (FR) 2003-12-10 EP disclosed
US-6548713-B2 Efficiently producing a compound having an alkyl group or alkenyl group bonded at the alpha position of an electron attractive group, by catalytic radical addition reaction with compound of Group 5,6,7,8, or 9 DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-15 US disclosed
US-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-07 US disclosed
EP-1178031-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE Daicel Chemical Industries, Ltd. (JP) 2002-02-06 EP disclosed
EP-0702670-A1 IODOPROPARGYL CARBAMATES AND THEIR USE AS BIOCIDES IN THE PROTECTION OF PLANTS AND MATERIALS BAYER AG (DE) 1996-03-27 EP disclosed
WO-1994029268-A1 IODOPROPARGYL CARBAMATES AND THEIR USE AS BIOCIDES IN THE PROTECTION OF PLANTS AND MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1994-12-22 WO disclosed
US-4687813-A FROM POLYHYDROXYPOLYACRYLATE RESINS, ISOCYANURATE-ANDOR BIURET-CONTAINING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 1987-08-18 US disclosed
US-4532300-A Reacting polyhydroxy polyacrylate resin with isocyanurate containing polyisocyanates having cycloaliphatically bound isocyanate groups BASF AKTIENGESELLSCHAFT (DE) 1985-07-30 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 (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-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like SOD1, CAT, SOD3 CYP1A2 1802/4885EPHX1 1683/4885

“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.