SCHEMBL4378124

SCHEMBL4378124

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.40
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
SLC6A4 P31645 1/20 0.34
TAAR1 Q96RJ0 3/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
CYP2D6 P10635 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
SCHEMBL4371869 0.90 RIPK1 (0.36) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL4381943 0.88 RIPK1 (0.35) RIPK1HRH1OPRK1KCNH2LMNA
SCHEMBL4377976 0.86 RIPK1 (0.36) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL4382038 0.82 RIPK1 (0.37) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL4379647 0.82 RIPK1 (0.35) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL4374070 0.81 TP53 (0.37) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL15136118 0.78 BRD4 (0.33) RIPK1
SCHEMBL4368006 0.78 RIPK1 (0.35) RIPK1CYP2D6HIF1ACYP3A4TDP1
SCHEMBL4372778 0.77 RIPK1 (0.41) RIPK1CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL4373127 0.76 LMNA (0.35) RIPK1CACNA1FCHRM2CHRM1ADRA2B

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-20130096085-A1 PROCHELATORS USEFUL FOR INHIBITING METAL-ASSOCIATED TOXICITY FRANZ KATHERINE J (US) 2013-04-18 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 (4 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 RIPK1 941/4885CACNA1F 4031/4885CHRM2 828/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM RIPK1 590/4885CACNA1F 4264/4885CHRM2 471/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 RIPK1 1437/4885CACNA1F 3746/4885CHRM2 60/4885
US-20130096085-A1 PROCHELATORS USEFUL FOR INHIBITING METAL-ASSOCIATED TOXICITY FABP2, ALPI, COLGALT1 RIPK1 3985/4885CACNA1F 3529/4885CHRM2 4290/4885

“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.