SCHEMBL4374396

SCHEMBL4374396

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
KCNN4 O15554 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL16192269 0.92 RIPK1 (0.34) RIPK1KCNN4CYP3A4TDP1
SCHEMBL4379742 0.85 RIPK1 (0.38) RIPK1
SCHEMBL4372778 0.80 RIPK1 (0.41) RIPK1
SCHEMBL4368225 0.80 TSHR (0.34)
SCHEMBL4371651 0.80 KCNN4 (0.33) RIPK1KCNN4CYP3A4TDP1
SCHEMBL4367309 0.78 RIPK1 (0.33) RIPK1KCNN4CYP3A4TDP1
SCHEMBL4368006 0.78 RIPK1 (0.35) RIPK1CYP3A4TDP1
SCHEMBL16192495 0.77 TDP1 (0.38) RIPK1CYP3A4TDP1
SCHEMBL4372910 0.77
SCHEMBL5039665 0.77 TAAR1 (0.32) KCNN4CYP3A4TDP1

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 RIPK1 941/4885KCNN4 4136/4885CYP3A4 68/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM RIPK1 590/4885KCNN4 3662/4885CYP3A4 2504/4885
US-20030166978-A1 Novel ruthenium complexes and process for preparing alcoholic compounds using these ADH1C, ADH1A, ADH5 RIPK1 1437/4885KCNN4 3307/4885CYP3A4 123/4885

“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.