SCHEMBL4374031

SCHEMBL4374031

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)C(c2ccccc2)C(C)(C)C(c2ccccc2)P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.36
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
RIPK1 Q13546 1/20 0.32
PLK1 P53350 1/20 0.32
SLC6A2 P23975 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL4367346 0.85 LMNA (0.36) SMN1; SMN2RIPK1SLC6A2SLC6A4
SCHEMBL4377976 0.84 RIPK1 (0.36) TACR1ALDH1A1SMN1; SMN2TDP1CACNA1F
SCHEMBL4379647 0.84 RIPK1 (0.35) TDP1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4379146 0.83 TACR1 (0.36) TACR1ALDH1A1SMN1; SMN2TDP1CACNA1F
SCHEMBL4378296 0.82 TACR1 (0.34) TACR1ALDH1A1SMN1; SMN2TDP1CACNA1F
SCHEMBL4381009 0.81 TACR1 (0.36) TACR1ALDH1A1SMN1; SMN2TDP1CACNA1F
SCHEMBL4381006 0.80 TACR1 (0.34) TACR1ALDH1A1SMN1; SMN2TDP1CACNA1F
SCHEMBL15136972 0.80 BRD4 (0.35) SMN1; SMN2
SCHEMBL4369990 0.80 TP53 (0.41) ALDH1A1SMN1; SMN2RIPK1SLC6A2TAAR1
SCHEMBL4379046 0.78 TACR1 (0.35) TACR1TDP1CACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TACR1 3091/4885ALDH1A1 1467/4885SMN1; SMN2 4694/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM TACR1 2591/4885ALDH1A1 3607/4885SMN1; SMN2 3025/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 TACR1 2534/4885ALDH1A1 267/4885SMN1; SMN2 4684/4885

“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.