SCHEMBL4371905

SCHEMBL4371905

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
GRIA4 P48058 5/20 0.33
LMNA P02545 1/20 0.32
TYR P14679 1/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ALPL P05186 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4371472 0.93 TSHR (0.33) TSHRTP53GRIA4LMNATYR
SCHEMBL4369913 0.86 TSHR (0.34) TSHRTP53GRIA4LMNATYR
SCHEMBL4381023 0.86 TSHR (0.36) TSHRTP53GRIA4LMNATYR
SCHEMBL4379644 0.83 TSHR (0.33) TSHRTP53GRIA4LMNATYR
SCHEMBL4382032 0.82 GAA (0.32) GAA
SCHEMBL4370119 0.80 RIPK1 (0.32) GAA
SCHEMBL4381962 0.79 TSHR (0.36) TSHRTP53GRIA4LMNATYR
SCHEMBL4376395 0.77 TSHR (0.41) TSHRTP53GRIA4LMNATYR
SCHEMBL4371149 0.76 EPHX1 (0.35) TSHRGRIA4LMNA
SCHEMBL4378372 0.76 GAA (0.30) GAA

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 6 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

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 TSHR 2723/4885TP53 2744/4885GRIA4 1994/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM TSHR 1977/4885TP53 4672/4885GRIA4 782/4885

“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.