SCHEMBL4374608

SCHEMBL4374608

Cc1ccc(P(c2ccc(C)cc2)C(c2ccccc2)C(C(C)C)C(c2ccccc2)P(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
ACHE P22303 1/20 0.34
HCRTR2 O43614 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KEAP1 Q14145 3/20 0.31
NFE2L2 Q16236 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTT P42858 1/20 0.31
AOC3 Q16853 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
SCHEMBL4379944 0.89 TAAR1 (0.36) LMNATAAR1ALDH1A1AOC3
SCHEMBL4371888 0.86 TACR1 (0.35) LMNATAAR1SLC6A2SLC6A4AOC3
SCHEMBL4381954 0.85 SMN1; SMN2 (0.39) SMN1; SMN2LMNATSHRALOX12ACHE
SCHEMBL4367995 0.81 EPHX1 (0.34) LMNATSHRALDH1A1L3MBTL1
SCHEMBL4376387 0.77 ALDH1A1 (0.39) SMN1; SMN2LMNATSHRALOX12ACHE
SCHEMBL18219540 0.77 TAAR1 (0.39) LMNATAAR1ALDH1A1AOC3
SCHEMBL4369936 0.75 AOC3 (0.35) SMN1; SMN2LMNATSHRALOX12ACHE
SCHEMBL15137213 0.74 BRD4 (0.34) SMN1; SMN2MEN1KMT2A
SCHEMBL4380185 0.73 TP53 (0.35) SMN1; SMN2LMNATAAR1ALDH1A1L3MBTL1
SCHEMBL4380162 0.72 ACHE (0.36) ACHE

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 SMN1; SMN2 4694/4885LMNA 3915/4885TSHR 2723/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM SMN1; SMN2 3025/4885LMNA 4608/4885TSHR 1977/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 SMN1; SMN2 4684/4885LMNA 4207/4885TSHR 2312/4885

“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.