SCHEMBL4374644

SCHEMBL4374644

CCCC(C(C)P(c1ccc(C)cc1)c1ccc(C)cc1)C(C)P(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SLC6A3 Q01959 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
ACHE P22303 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 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
SCHEMBL4375424 0.84 ACHE (0.33) ACHETDP1MAPT
SCHEMBL4374651 0.82 NOS2 (0.33)
SCHEMBL4374391 0.82 SMN1; SMN2 (0.36) TDP1
SCHEMBL4372728 0.80 GRIA4 (0.38)
SCHEMBL7886834 0.80 CA12 (0.40) CA12CA2CA9SLC6A3SLC6A2
SCHEMBL7790577 0.79 ACHE (0.44) CA2CA9ACHETDP1MAPT
SCHEMBL12584882 0.79 ACHE (0.44) CA2CA9ACHETDP1MAPT
SCHEMBL9426833 0.78 CA12 (0.37) CA12CA2CA9SLC6A3SLC6A2
SCHEMBL4378627 0.74 ACHE (0.40) CA2CA9ACHETDP1MAPT
SCHEMBL4369936 0.74 AOC3 (0.35) SLC6A2SLC6A4ACHETDP1

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 8 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 claimed
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
EP-1323724-B1 Ruthenium complexes and process for preparing alcoholic compounds using these KANTO KAGAKU (JP) 2007-03-14 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 (2 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 CA12 3395/4885CA2 1125/4885CA9 779/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM CA12 3745/4885CA2 2681/4885CA9 4583/4885

“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.