SCHEMBL4367995

SCHEMBL4367995

CC(C)C(C(c1ccccc1)P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)C(c1ccccc1)P(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAOA P21397 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
RIPK1 Q13546 1/20 0.32
LMNA P02545 1/20 0.32
NR1I2 O75469 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 1/20 0.32
GHSR Q92847 1/20 0.32
RCE1 Q9Y256 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
MAPT P10636 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
SCHEMBL4381033 0.87 EPHX1 (0.35) EPHX1TDP1MAOAGAAL3MBTL1
SCHEMBL4379944 0.84 TAAR1 (0.36) TDP1LMNAALDH1A1
SCHEMBL4374608 0.81 SMN1; SMN2 (0.37) L3MBTL1TSHRLMNAALDH1A1
SCHEMBL4372792 0.79 TSHR (0.38) EPHX1MAOATSHRTP53LMNA
SCHEMBL4379630 0.77 EPHX1 (0.35) EPHX1MAOATSHRRIPK1LMNA
SCHEMBL4368188 0.75 TSHR (0.38) EPHX1TSHRTP53LMNAKCNH2
SCHEMBL4379961 0.75 EPHX1 (0.36) EPHX1TDP1MAOAL3MBTL1TSHR
SCHEMBL4371888 0.75 TACR1 (0.35) TDP1LMNA
SCHEMBL4379662 0.74 RIPK1 (0.35) EPHX1TDP1MAOAGAAL3MBTL1
SCHEMBL4381943 0.74 RIPK1 (0.35) EPHX1TDP1MAOAGAAL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX1 4308/4885TDP1 1933/4885MAOA 739/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM EPHX1 3253/4885TDP1 3532/4885MAOA 279/4885

“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.