SCHEMBL4379944

SCHEMBL4379944

CC(C)C(C(c1ccccc1)P(c1ccccc1)c1ccccc1)C(c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.36
AOC3 Q16853 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MIF P14174 2/20 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
SCHEMBL4374608 0.89 SMN1; SMN2 (0.37) TAAR1AOC3LMNAALDH1A1
SCHEMBL18219540 0.87 TAAR1 (0.39) TAAR1AOC3KDM4EADRA2AADRA2C
SCHEMBL4371888 0.85 TACR1 (0.35) TAAR1AOC3LMNATDP1
SCHEMBL4367995 0.84 EPHX1 (0.34) LMNATDP1ALDH1A1
SCHEMBL4369978 0.83 TAAR1 (0.37) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL4380185 0.79 TP53 (0.35) TAAR1AOC3ADRA2CLMNAALDH1A1
SCHEMBL2967801 0.79 ADRA2A (0.47) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL2967803 0.79 ADRA2A (0.47) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL3025348 0.79 ADRA2A (0.47) TAAR1KDM4EADRA2AADRA2CCYP2D6
SCHEMBL15137213 0.77 BRD4 (0.34)

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-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
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 TAAR1 3288/4885AOC3 951/4885KDM4E 1614/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM TAAR1 1186/4885AOC3 523/4885KDM4E 2696/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 TAAR1 502/4885AOC3 1442/4885KDM4E 1088/4885

“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.