SCHEMBL4380919

SCHEMBL4380919

CCC(C)(C(c1ccccc1)P(c1ccc(C)cc1)c1ccc(C)cc1)C(c1ccccc1)P(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP2C19 P33261 2/20 0.32
RIPK1 Q13546 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
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
SCHEMBL4373127 0.90 LMNA (0.35) MEN1KMT2ALMNASLC6A2SLC6A4
SCHEMBL4370181 0.88 RIPK1 (0.33) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL4379146 0.87 TACR1 (0.36) SMN1; SMN2ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL4369916 0.86 EPHX1 (0.36) CNR1LMNACYP2C19CYP3A4TSHR
SCHEMBL4369917 0.85 HTT (0.36) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL4367346 0.83 LMNA (0.36) SMN1; SMN2HTTMEN1KMT2ACNR1
SCHEMBL4376388 0.81 RIPK1 (0.37) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL4382020 0.80 HTT (0.33) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL4375502 0.79 HTT (0.34) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL4371869 0.79 RIPK1 (0.36) SMN1; SMN2HTTMEN1KMT2ALMNA

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 SMN1; SMN2 4694/4885HTT 2539/4885MEN1 3708/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM SMN1; SMN2 3025/4885HTT 4105/4885MEN1 2420/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 SMN1; SMN2 4684/4885HTT 4627/4885MEN1 1815/4885

“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.