SCHEMBL12446372

SCHEMBL12446372

Cc1cccc(C)c1P(c1ccc2c(c1-c1c(P(c3c(C)cccc3C)c3c(C)cccc3C)ccc3c1OCCN3C)OCCN2C)c1c(C)cccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
FGB P02675 1/20 0.35
GRM5 P41594 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
NOTUM Q6P988 1/20 0.31
PKM P14618 2/20 0.30
CYP17A1 P05093 1/20 0.30
CYP1A2 P05177 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
HTR2A P28223 1/20 0.30
DRD3 P35462 1/20 0.30
NPC1 O15118 1/20 0.30
PKLR P30613 1/20 0.30
RAB9A P51151 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
SCHEMBL15905925 0.81 GRM5 (0.36) PTGER3L3MBTL1GRM5CYP11B1CYP11B2
SCHEMBL30818349 0.81 GRM5 (0.39) L3MBTL1GRM5CYP11B1CYP11B2POLB
SCHEMBL726239 0.81 GRM5 (0.39) L3MBTL1GRM5CYP11B1CYP11B2POLB
SCHEMBL1224769 0.80 CYP11B1 (0.33) GRM5CYP11B1CYP11B2NOTUMPKM
SCHEMBL8593458 0.78 L3MBTL1 (0.46) PTGER3L3MBTL1FGBTP53POLB
SCHEMBL12661284 0.76 PKM (0.39) PTGER3L3MBTL1FGBGRM5CYP11B1
SCHEMBL12446378 0.76 KDM4E (0.35) PTGER3POLBNPC1RAB9A
SCHEMBL19912184 0.75 TNKS (0.34) GRM5DRD2
SCHEMBL19009978 0.72 GRM5 (0.33) GRM5DRD1
SCHEMBL12446390 0.72 NQO2 (0.39) CYP1A2DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975837-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2018-05-22 US disclosed
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2018-03-01 US disclosed
EP-2139835-B1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2017-05-10 EP disclosed
US-7973198-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2011-07-05 US disclosed
US-7973198-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2011-07-05 US disclosed
US-7816107-B2 Method for producing an optically active 2-methyl-alkane-1-ol from the corresponding 2-methylalk-2-en-1-al, comprising carbonyl-selective reduction, enantioselective hydration and lipase-catalyzed, stereoselective acylation in order to enrich the desired BASF AKTIENGESELLSCHAFT (DE) 2010-10-19 US disclosed
US-20100152494-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2010-06-17 US disclosed
US-20100152494-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2010-06-17 US disclosed
US-7709688-B2 Method for the production of menthol BASF SE (DE) 2010-05-04 US disclosed
US-7589196-B2 Amine-substituted biphenyldiphosphines SOLVIAS AG (CH) 2009-09-15 US disclosed
US-7534921-B2 Method for the production of optically active carbonyl BASF AKTIENGESELLSCHAFT (DE) 2009-05-19 US disclosed
US-20080269528-A1 Method for the Production of Optically Active Carbonyl BASF AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080139852-A1 Method For The Production Of Menthol BASF AKTIENGESELLSCHAFT (DE) 2008-06-12 US disclosed
US-20080108117-A1 Method for Producing an Optically Active 2-Methyl-Alkane-1-Ol from the Corresponding 2-Methylalk-2-En-1-Al, Comprising Carbonyl-Selective Reduction, Enantioselective Hydration and Lipase-Catalyzed Stereoselective Acylation in Order to Enrich the Desired BASF AKTIENGESELLSCHAFT (DE) 2008-05-08 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 (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-20080269528-A1 Method for the Production of Optically Active Carbonyl CBR1, CBR3, HMOX1 PTGER3 2039/4885L3MBTL1 3235/4885FGB 2975/4885
US-20100152494-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS HMOX1, HMOX2, CBR1 PTGER3 2542/4885L3MBTL1 3712/4885FGB 3378/4885
US-20080139852-A1 Method For The Production Of Menthol NISCH, CYP8B1, MSMO1 PTGER3 835/4885L3MBTL1 4278/4885FGB 3829/4885
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 PTGER3 482/4885L3MBTL1 4538/4885FGB 3699/4885

“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.