SCHEMBL4379629

SCHEMBL4379629

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.36
MAOA P21397 2/20 0.33
CA7 P43166 2/20 0.33
MAOB P27338 1/20 0.33
IDO1 P14902 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL16447448 1.00 ACHE (0.38) ACHETDP1MAPTMAOACA7
SCHEMBL7886834 0.80 CA12 (0.40) ACHETDP1MAPTMAOACA7
SCHEMBL16414441 0.79 IDO1 (0.38) IDO1
SCHEMBL31589 0.78 CYP3A4 (0.39) TDP1MAOACYP2A6TAAR1
SCHEMBL28532 0.78 CYP3A4 (0.39) TDP1MAOACYP2A6TAAR1
SCHEMBL30277 0.78 CYP3A4 (0.39) TDP1MAOACYP2A6TAAR1
SCHEMBL1225131 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10324073 0.78 CYP3A4 (0.39) TDP1MAOACYP2A6TAAR1
SCHEMBL6543955 0.78 CYP3A4 (0.39) TDP1MAOACYP2A6TAAR1
SCHEMBL25201319 0.77 ACHE (0.44) ACHETDP1MAPTMAOACA7

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 EP claimed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 US claimed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 EP claimed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 US claimed
EP-1867654-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL NAGOYA IND SCIENCE RES INST (JP) 2014-06-11 EP claimed
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 claimed
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-08-01 US claimed
EP-1323724-B1 Ruthenium complexes and process for preparing alcoholic compounds using these KANTO KAGAKU (JP) 2007-03-14 EP claimed
US-6790973-B2 REDUCTION OF KETONE TO ALCOHOL USING COMPLEX CATALYST KANTO KAGAKU KABUSHIKI KAISHA (JP) 2004-09-14 US claimed
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these KANTO KAGAKU KABUSHIKI KAISHA (JP) 2003-09-04 US claimed
EP-1323724-A2 Novel ruthenium complexes and process for preparing alcoholic compounds using these Kanto Kagaku Kabushiki Kaisha (JP) 2003-07-02 EP claimed
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 EP disclosed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 US disclosed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 EP disclosed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 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-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL ADH1A, ADH1C, ADH5 ACHE 1428/4885TDP1 4079/4885MAPT 4522/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM ACHE 359/4885TDP1 3532/4885MAPT 4062/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 ACHE 2291/4885TDP1 2662/4885MAPT 4455/4885

“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.