SCHEMBL4369936

SCHEMBL4369936

CCCC(C(c1ccccc1)P(c1ccc(C)cc1)c1ccc(C)cc1)C(c1ccccc1)P(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASR P41180 1/20 0.33
CYP19A1 P11511 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR2 O43614 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
ACHE P22303 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
SCHEMBL4373365 0.90 AOC3 (0.39) AOC3LMNA
SCHEMBL4378152 0.87 TACR1 (0.36) AOC3TDP1SLC6A2SLC6A4LMNA
SCHEMBL4376387 0.87 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1CNR1CNR2MEN1
SCHEMBL4379630 0.83 EPHX1 (0.35) AOC3CNR1LMNATSHR
SCHEMBL4370081 0.78 TP53 (0.34) AOC3LMNA
SCHEMBL4381954 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL15137381 0.77 BRD4 (0.37) AOC3SMN1; SMN2MEN1KMT2ASLC6A2
SCHEMBL4381143 0.75 LMNA (0.42) AOC3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4374608 0.75 SMN1; SMN2 (0.37) AOC3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4374644 0.74 CA12 (0.38) TDP1SLC6A2SLC6A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867654-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL NAGOYA IND SCIENCE RES INST (JP) 2014-06-11 EP disclosed
EP-2623509-A1 Method of producing an optically active amine compound by catalytic asymmetric hydrogenation using a ruthenium-diphosphine complex Kanto Kagaku Kabushiki Kaisha (JP) 2013-08-07 EP disclosed
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-08-01 US disclosed
US-8212037-B2 Process for production of optically active quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-20090216019-A1 Process for Production of Optically Active Quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA 2009-08-27 US disclosed
EP-1867654-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL Nagoya Industrial Science Research Institute (JP) 2007-12-19 EP disclosed
EP-1323724-B1 Ruthenium complexes and process for preparing alcoholic compounds using these KANTO KAGAKU (JP) 2007-03-14 EP disclosed
US-6790973-B2 REDUCTION OF KETONE TO ALCOHOL USING COMPLEX CATALYST KANTO KAGAKU KABUSHIKI KAISHA (JP) 2004-09-14 US disclosed
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these KANTO KAGAKU KABUSHIKI KAISHA (JP) 2003-09-04 US disclosed
EP-1323724-A2 Novel ruthenium complexes and process for preparing alcoholic compounds using these Kanto Kagaku Kabushiki Kaisha (JP) 2003-07-02 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 (3 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-20090216019-A1 Process for Production of Optically Active Quinuclidinols NQO2, ADH7, MRPL21 AOC3 951/4885SMN1; SMN2 4694/4885ALDH1A1 1467/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM AOC3 523/4885SMN1; SMN2 3025/4885ALDH1A1 3607/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 AOC3 1442/4885SMN1; SMN2 4684/4885ALDH1A1 267/4885

“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.