SCHEMBL4379630

SCHEMBL4379630

CCCC(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 0.35
GRIA4 P48058 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RIPK1 Q13546 2/20 0.33
AOC3 Q16853 1/20 0.33
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
REN P00797 1/20 0.32
SLC6A9 P48067 2/20 0.32

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
SCHEMBL4372792 0.88 TSHR (0.38) EPHX1GRIA4CYP1A2CYP3A4CYP2C9
SCHEMBL4373365 0.86 AOC3 (0.39) CYP1A2RIPK1AOC3LMNAHRH1
SCHEMBL4369936 0.83 AOC3 (0.35) TSHRAOC3LMNACNR1
SCHEMBL4381033 0.80 EPHX1 (0.35) EPHX1TSHRRIPK1LMNANR1I2
SCHEMBL4378152 0.77 TACR1 (0.36) AOC3LMNA
SCHEMBL4367995 0.77 EPHX1 (0.34) EPHX1TSHRRIPK1LMNANR1I2
SCHEMBL4372728 0.76 GRIA4 (0.38) GRIA4TSHRLMNAKCNH2
SCHEMBL4370081 0.75 TP53 (0.34) AOC3LMNA
SCHEMBL4371149 0.73 EPHX1 (0.35) EPHX1GRIA4CYP1A2CYP3A4CYP2C9
SCHEMBL4366200 0.73 EPHX1 (0.35) EPHX1CYP1A2CYP3A4CYP2C9TSHR

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 4308/4885GRIA4 1994/4885CYP1A2 111/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM EPHX1 3253/4885GRIA4 782/4885CYP1A2 643/4885

“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.