SCHEMBL12446367

SCHEMBL12446367

COc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
NISCH Q9Y2I1 1/20 0.41
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNA3 P22001 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
NQO1 P15559 1/20 0.34
HTR1B P28222 2/20 0.34
HTR1D P28221 1/20 0.34
LMNA P02545 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL29496547 0.91 MAPT (0.67) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1606348 0.91 MAPT (0.67) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL29834220 0.91 MAPT (0.67) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL24779254 0.90 MAPT (0.51) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL29407955 0.86 CA1 (0.44) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL6565552 0.86 CA1 (0.44) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL301296 0.86 CA1 (0.44) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL29430119 0.86 CA1 (0.44) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL1768301 0.85 CA1 (0.43) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL15658563 0.83 MAPT (0.58) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49036-E1 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2022-04-19 US disclosed
EP-3489213-B1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2021-04-28 EP disclosed
US-10450261-B2 Method for the homogeneous catalytic reductive amination of carbonyl compounds BASF SE (DE) 2019-10-22 US disclosed
EP-3489213-A1 COMPOSITION FOR USE IN A METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-05-29 EP disclosed
US-10301244-B2 Method for synthesizing optically active carbonyl compounds BASF SE (DE) 2019-05-28 US disclosed
EP-3233778-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-02-20 EP disclosed
US-20180186725-A1 METHOD FOR THE HOMOGENEOUS CATALYTIC REDUCTIVE AMINATION OF CARBONYL COMPOUNDS BASF SE (DE) 2018-07-05 US disclosed
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
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
US-7534921-B2 Method for the production of optically active carbonyl BASF AKTIENGESELLSCHAFT (DE) 2009-05-19 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-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-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
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
WO-2007082927-A1 CHEMICAL TRANSFORMATION PROCESS IN THE PRESENCE OF A RUTHENIUM CATALYST BASF SE (DE) 2007-07-26 WO disclosed
WO-2007082928-A2 METHOD FOR PRODUCTION OF A RUTHENIUM CATALYST BASF SE (DE) 2007-07-26 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 (7 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-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY MAPT 4198/4885KMT2A 2292/4885MEN1 3486/4885
US-20180186725-A1 METHOD FOR THE HOMOGENEOUS CATALYTIC REDUCTIVE AMINATION OF CARBONYL COMPOUNDS CAT, AOC1, CYCS MAPT 3635/4885KMT2A 257/4885MEN1 1933/4885
US-10301244-B2 Method for synthesizing optically active carbonyl compounds CBR3, CBR1, HRH4 MAPT 4602/4885KMT2A 4289/4885MEN1 809/4885
US-20080269528-A1 Method for the Production of Optically Active Carbonyl CBR1, CBR3, HMOX1 MAPT 2045/4885KMT2A 3747/4885MEN1 2981/4885
US-10450261-B2 Method for the homogeneous catalytic reductive amination of carbonyl compounds CAT, AOC1, CYCS MAPT 3635/4885KMT2A 257/4885MEN1 1933/4885
US-20080139852-A1 Method For The Production Of Menthol NISCH, CYP8B1, MSMO1 MAPT 870/4885KMT2A 4538/4885MEN1 667/4885
US-20180057437-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE CARBONYL COMPOUNDS CBR3, CBR1, HRH4 MAPT 4602/4885KMT2A 4289/4885MEN1 809/4885

“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.