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Sugi Predict / Compounds / SCHEMBL4379961

SCHEMBL4379961

SCHEMBL4379961

CC(C)(C)c1ccc(P(c2ccc(C(C)(C)C)cc2)C(c2ccccc2)C(C)(C)C(c2ccccc2)P(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 5/20 0.36
▸ MAOA P21397 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ TSHR P16473 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ TYR P14679 1/20 0.33

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
SCHEMBL4379647 0.87 RIPK1 (0.35) LMNATSHRTDP1HRH1OPRK1
SCHEMBL4379662 0.85 RIPK1 (0.35) EPHX1MAOALMNARAB9ATSHR
SCHEMBL4381943 0.85 RIPK1 (0.35) EPHX1MAOALMNARAB9ATSHR
SCHEMBL4367346 0.84 LMNA (0.36) LMNATSHRCNR1MEN1KMT2A
SCHEMBL4373224 0.83 EPHX1 (0.36) EPHX1MAOALMNARAB9ATSHR
SCHEMBL4369916 0.83 EPHX1 (0.36) EPHX1MAOALMNARAB9ATSHR
SCHEMBL4371149 0.81 EPHX1 (0.35) EPHX1MAOALMNARAB9ATSHR
SCHEMBL4366200 0.81 EPHX1 (0.35) EPHX1MAOALMNARAB9ATSHR
SCHEMBL4367983 0.80 RIPK1 (0.38) EPHX1MAOALMNARAB9ATSHR
SCHEMBL4381058 0.79 EPHX1 (0.33) EPHX1MAOALMNARAB9ATSHR

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 EPHX1 4308/4885MAOA 739/4885LMNA 3915/4885
US-20130197234-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINE COMPOUND HRH3, TDO2, SRM EPHX1 3253/4885MAOA 279/4885LMNA 4608/4885

“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.