SCHEMBL4368160

SCHEMBL4368160

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.33
TAAR1 Q96RJ0 3/20 0.32
RIPK1 Q13546 3/20 0.32
HTR2A P28223 2/20 0.32
HRH1 P35367 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
KCNN4 O15554 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
CYP3A4 P08684 1/20 0.31
TRPA1 O75762 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
SCHEMBL4369917 0.90 HTT (0.36) LMNAALDH1A1CYP3A4
SCHEMBL4369893 0.90 RIPK1 (0.33) LMNARIPK1
SCHEMBL4373224 0.87 EPHX1 (0.36) LMNATP53HRH1ALDH1A1CYP3A4
SCHEMBL4381009 0.86 TACR1 (0.36) LMNATDP1ALDH1A1
SCHEMBL4377969 0.85 LMNA (0.34) LMNATP53TAAR1RIPK1HTR2A
SCHEMBL4374005 0.83 TP53 (0.39) LMNATP53ALDH1A1
SCHEMBL4373127 0.83 LMNA (0.35) LMNATP53TAAR1RIPK1HTR2A
SCHEMBL4382020 0.81 HTT (0.33) TDP1ALDH1A1
SCHEMBL4372778 0.80 RIPK1 (0.41) LMNATP53TAAR1RIPK1HRH1
SCHEMBL15137196 0.78 BRD4 (0.36) ALDH1A1

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 LMNA 3915/4885TP53 2744/4885TAAR1 3288/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM LMNA 4608/4885TP53 4672/4885TAAR1 1186/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 LMNA 4207/4885TP53 3528/4885TAAR1 502/4885

“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.