SCHEMBL4376392

SCHEMBL4376392

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
RIPK1 Q13546 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CACNA1F O60840 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
CACNA1D Q01668 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL4382038 0.89 RIPK1 (0.37) LMNARIPK1CACNA1FCHRM2CHRM1
SCHEMBL4378296 0.86 TACR1 (0.34) SMN1; SMN2RIPK1CACNA1FCHRM2CHRM1
SCHEMBL4371869 0.85 RIPK1 (0.36) SMN1; SMN2LMNAHTTTSHRALOX12
SCHEMBL4379662 0.83 RIPK1 (0.35) LMNATSHRRIPK1CACNA1FCHRM2
SCHEMBL4367346 0.82 LMNA (0.36) SMN1; SMN2LMNAHTTTSHRALOX12
SCHEMBL4376388 0.81 RIPK1 (0.37) SMN1; SMN2LMNAHTTRIPK1MEN1
SCHEMBL4379459 0.79 RIPK1 (0.38) SMN1; SMN2LMNAHTTRIPK1MEN1
SCHEMBL4369917 0.78 HTT (0.36) SMN1; SMN2LMNAHTTTSHRALOX12
SCHEMBL4380919 0.77 SMN1; SMN2 (0.37) SMN1; SMN2LMNAHTTTSHRALOX12
SCHEMBL4375502 0.76 HTT (0.34) SMN1; SMN2LMNAHTTTSHRALOX12

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 4694/4885LMNA 3915/4885HTT 2539/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM SMN1; SMN2 3025/4885LMNA 4608/4885HTT 4105/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 SMN1; SMN2 4684/4885LMNA 4207/4885HTT 4627/4885

“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.