SCHEMBL205843

SCHEMBL205843

Cc1cccc(P(C2CCCCC2)C2CCCCC2)c1-c1c(C)cccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
ALOX12 P18054 2/20 0.35
EPHX1 P07099 1/20 0.35
SIGMAR1 Q99720 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NOS2 P35228 1/20 0.33
P2RX7 Q99572 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 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
SCHEMBL8963331 0.98 ROCK2 (0.38) ROCK2ALOX12EPHX1SIGMAR1GAA
Perchlorate SCHEMBL9676819 0.92 ROCK2 (0.35) ROCK2ALOX12EPHX1SIGMAR1GAA
SCHEMBL8960743 0.91 ROCK2 (0.34) ROCK2ALOX12EPHX1
Perchlorate SCHEMBL9676816 0.89 ROCK2 (0.33) ROCK2ALOX12EPHX1SIGMAR1GAA
SCHEMBL3929841 0.89 SIGMAR1 (0.35) ROCK2ALOX12EPHX1SIGMAR1LMNA
SCHEMBL12015428 0.89 HPGD (0.40) ROCK2ALOX12EPHX1SIGMAR1LMNA
SCHEMBL29584884 0.89 SIGMAR1 (0.35) ROCK2ALOX12EPHX1SIGMAR1LMNA
SCHEMBL8960858 0.88 ROCK2 (0.38) ROCK2SIGMAR1LMNAGRIN2DGRIN3B
SCHEMBL8961009 0.87 ROCK2 (0.34) ROCK2ALDH1A1TSHR
SCHEMBL645784 0.86 DDB1 (0.38) ROCK2ALOX12EPHX1SIGMAR1GAA

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 245 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-0408340-B1 Ruthenium-optically active phoshine complex useful as catalyst TAKASAGO PERFUMERY CO LTD (JP) 1996-01-24 EP claimed
EP-0408338-B1 Catalytic production of carboxylic acids and esters thereof TAKASAGO PERFUMERY CO LTD (JP) 1995-09-27 EP claimed
US-5087728-A Hydrogenating unsaturated compound using rhodium or ruthenium complex catalyst with specific diphosphine ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-02-11 US claimed
US-5021593-A Used as hydrogenation, silylation or isomerization catalysts TAKASAGO INTERNATIONAL CORPORATION (JP) 1991-06-04 US claimed
EP-0408340-A2 Ruthenium-optically active phoshine complex useful as catalyst Takasago International Corporation (JP) 1991-01-16 EP claimed
EP-0408338-A2 Catalytic production of carboxylic acids and esters thereof Takasago International Corporation (JP) 1991-01-16 EP claimed
JP-3275691-A None JP disclosed
US-12129249-B2 Method for producing optically active compound DAY ONE BIOPHARMACEUTICALS, INC. (US) 2024-10-29 US disclosed
EP-4406609-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Day One Biopharmaceuticals, Inc. (US) 2024-07-31 EP disclosed
CN-118005619-A Process for producing heterocyclic compound 武田药品工业株式会社 2024-05-10 CN disclosed
CN-110753689-B Process for producing heterocyclic compound 武田药品工业株式会社 2024-01-26 CN disclosed
US-5021593-A Used as hydrogenation, silylation or isomerization catalysts TAKASAGO INTERNATIONAL CORPORATION (JP) 1991-06-04 US disclosed
EP-0408340-A2 Ruthenium-optically active phoshine complex useful as catalyst Takasago International Corporation (JP) 1991-01-16 EP disclosed
EP-0408338-A2 Catalytic production of carboxylic acids and esters thereof Takasago International Corporation (JP) 1991-01-16 EP disclosed
US-4857648-A Isoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 1989-08-15 US disclosed
EP-0315886-A2 Isoquinoline derivatives, their manufacture and use F. HOFFMANN-LA ROCHE AG (CH) 1989-05-17 EP 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-20080139825-A1 Process For Producing Optically Active Beta-Hydroxy-Alpha-Aminocarboxylic Acid Derivative HCAR2, HCAR1, ALDH7A1 ROCK2 2784/4885ALOX12 181/4885EPHX1 1222/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR ROCK2 978/4885ALOX12 1843/4885EPHX1 2473/4885

“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.