SCHEMBL301210

SCHEMBL301210

COc1c(C)cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(C)c(OC)c2C)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4B Q07343 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD1 P21728 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31

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
SCHEMBL31566365 1.00 CYP3A4 (0.35) CYP3A4TDP1PDE4BPDE4APDE4C
SCHEMBL31566366 1.00 CYP3A4 (0.35) CYP3A4TDP1PDE4BPDE4APDE4C
SCHEMBL21042094 0.91 MCL1 (0.33)
SCHEMBL9466974 0.89
SCHEMBL301193 0.85 TUBB1 (0.37) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1043212 0.84 CNR1 (0.35) SMN1; SMN2
SCHEMBL6414073 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1043812 0.83 HSD11B1 (0.30)
SCHEMBL31566348 0.83 HSD11B1 (0.30)
SCHEMBL1224812 0.83 ACHE (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840116-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-HYDROXY-ALPHA-AMINOCARBOXYLIC ACID DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2012-10-03 EP claimed
US-7781609-B2 Process for producing optically active β-hydroxy-α-aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US claimed
US-20080139825-A1 Process For Producing Optically Active Beta-Hydroxy-Alpha-Aminocarboxylic Acid Derivative NISSAN CHEMICAL INDUSTRIAL, LTD. (JP) 2008-06-12 US claimed
EP-1840116-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-HYDROXY-ALPHA-AMINOCARBOXYLIC ACID DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2007-10-03 EP claimed
EP-1650207-B1 Process for producing optically active 3-quinuclidinols TAKASAGO PERFUMERY CO LTD (JP) 2007-06-27 EP claimed
US-6583312-B2 Catalytic hydrogenation of trimethylpyruvic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-06-24 US claimed
US-20020035271-A1 Process for preparing oprtically active trimethyllactic acid and its ester BAYER AKTIENGESELLSCHAFT (DE) 2002-03-21 US claimed
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-3302795-B1 METHOD FOR THE HOMOGENEOUS CATALYTIC REDUCTIVE AMINATION OF CARBONYL COMPOUNDS BASF SE (DE) 2019-07-31 EP disclosed
EP-3199513-B1 PROCESS FOR PRODUCING ALCOHOL ANALOGUE TAKASAGO PERFUMERY CO LTD (JP) 2019-05-08 EP disclosed
EP-3233778-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBONYL COMPOUNDS BASF SE (DE) 2019-02-20 EP disclosed
US-10029968-B2 Process for producing alcohol analogue TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
US-5581007-A Process for preparing optically active allophenylnorstatin derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-12-03 US disclosed
EP-0729939-A2 Process for preparing optically active allophenylnorstatin derivatives, and intermediates for use therein Takasago International Corporation (JP) 1996-09-04 EP disclosed
US-5412109-A Process for preparing optically active 4-methyl-2-oxetanone TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-05-02 US disclosed
EP-0635004-A1 4-DIPHENYLMETHYL PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MERRELL PHARMACEUTICALS INC. (US) 1995-01-25 EP disclosed
US-5306834-A Catalytic hydrogenation of 4-methylene-2-oxetanone TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-04-26 US disclosed
EP-0580336-A1 Process for preparing optically active 4-methyl-2-oxetanone TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-01-26 EP disclosed
WO-1993021156-A1 4-DIPHENYLMETHYL PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-28 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 (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-20080139825-A1 Process For Producing Optically Active Beta-Hydroxy-Alpha-Aminocarboxylic Acid Derivative HCAR2, HCAR1, ALDH7A1 CYP3A4 207/4885TDP1 4714/4885PDE4B 3131/4885
US-20020035271-A1 Process for preparing oprtically active trimethyllactic acid and its ester ME1, OPRK1, OPRM1 CYP3A4 57/4885TDP1 4552/4885PDE4B 1782/4885
US-10450261-B2 Method for the homogeneous catalytic reductive amination of carbonyl compounds CAT, AOC1, CYCS CYP3A4 732/4885TDP1 3952/4885PDE4B 3837/4885
US-10029968-B2 Process for producing alcohol analogue ADH1A, ADH1C, ADH5 CYP3A4 523/4885TDP1 4077/4885PDE4B 1265/4885

“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.