SCHEMBL4373365

SCHEMBL4373365

CCCC(C(c1ccccc1)P(c1ccccc1)c1ccccc1)C(c1ccccc1)P(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.39
LMNA P02545 2/20 0.35
HRH1 P35367 6/20 0.33
HTR2A P28223 5/20 0.33
SIGMAR1 Q99720 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
RIPK1 Q13546 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
POLB P06746 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL4369936 0.90 AOC3 (0.35) AOC3LMNA
SCHEMBL4378152 0.86 TACR1 (0.36) AOC3LMNASIGMAR1
SCHEMBL4379630 0.86 EPHX1 (0.35) AOC3LMNAHRH1OPRK1CYP1A2
SCHEMBL4381143 0.85 LMNA (0.42) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL4370081 0.84 TP53 (0.34) AOC3LMNASIGMAR1
SCHEMBL15137381 0.79 BRD4 (0.37) AOC3LMNAHRH1HTR2ASIGMAR1
SCHEMBL21733206 0.77 MME (0.36) AOC3LMNASIGMAR1OPRM1CYP1A2
SCHEMBL4374391 0.77 SMN1; SMN2 (0.36) AOC3SIGMAR1POLB
SCHEMBL4376387 0.75 ALDH1A1 (0.39) LMNA
SCHEMBL29180 0.74 AOC3 (0.36) AOC3LMNASIGMAR1POLB

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 AOC3 951/4885LMNA 3915/4885HRH1 2593/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM AOC3 523/4885LMNA 4608/4885HRH1 4/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 AOC3 1442/4885LMNA 4207/4885HRH1 116/4885

“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.