SCHEMBL9906174

SCHEMBL9906174

COc1ccc(C(C)(O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.52
KIF11 P52732 8/20 0.50
KMT2A Q03164 2/20 0.50
KCNH2 Q12809 1/20 0.50
LTA4H P09960 1/20 0.50
AOC3 Q16853 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL28076980 1.00 CA4 (0.52) CA4KIF11KMT2AKCNH2LTA4H
SCHEMBL18383088 0.94 LTA4H (0.61) CA4KIF11KMT2AKCNH2LTA4H
SCHEMBL7128923 0.91 CA1 (0.55) KMT2ALTA4HAOC3CES2CES1
SCHEMBL18383079 0.89 LTA4H (0.55) CA4KIF11KMT2AKCNH2LTA4H
SCHEMBL18383086 0.89 LTA4H (0.55) CA4KIF11KMT2AKCNH2LTA4H
SCHEMBL18383087 0.89 LTA4H (0.55) CA4KIF11KMT2AKCNH2LTA4H
SCHEMBL28797 0.85 CA4 (0.54) CA4KIF11KMT2AKCNH2LTA4H
SCHEMBL7763666 0.85 CA4 (0.54) CA4KIF11KMT2AKCNH2LTA4H
SCHEMBL11567727 0.85 CA4 (0.54) CA4KIF11KMT2AKCNH2LTA4H
SCHEMBL29205 0.85 CA4 (0.54) CA4KIF11KMT2AKCNH2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108164402-B Method for preparing ketone by oxidizing tertiary alcohol in water phase 南京林业大学 2020-11-03 CN disclosed
CN-105732249-B Aryl alcohol compound and escitalopram synthetic method 中国科学院上海有机化学研究所 2019-03-15 CN disclosed
CN-108164402-A A kind of aqueous phase oxidation tertiary alcohol prepares the new method of ketone 南京林业大学 2018-06-15 CN disclosed
US-9996007-B2 Polymer for preparing resist underlayer film, resist underlayer film composition containing the polymer and method for manufacturing semiconductor device using the composition SK INNOVATION CO., LTD. (KR) 2018-06-12 US disclosed
US-20170015779-A1 Polymer for Preparing Resist Underlayer Film, Resist Underlayer Film Composition Containing the Polymer and Method for Manufacturing Semiconductor Device Using the Composition SK GEO CENTRIC CO., LTD. (KR) 2017-01-19 US disclosed
CN-105732249-A Synthesis method of aryl alcohol compound and Escitalopram 中国科学院上海有机化学研究所 2016-07-06 CN disclosed
US-20140141230-A1 PERMANENT ATTACHMENT OF AMMONIUM AND GUANIDINE-BASED ANTIMICROBIALS TO SURFACES CONTAINING C-H FUNCTIONALITY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2014-05-22 US disclosed
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 US disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 US disclosed
EP-2128167-A1 PHOSPHOROAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL National University Corporation Nagoya University (JP) 2009-12-02 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 (4 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-20140141230-A1 PERMANENT ATTACHMENT OF AMMONIUM AND GUANIDINE-BASED ANTIMICROBIALS TO SURFACES CONTAINING C-H FUNCTIONALITY GMPS, ARG1, ALKBH1 CA4 1076/4885KIF11 4869/4885KMT2A 1620/4885
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA CA4 2547/4885KIF11 3667/4885KMT2A 501/4885
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA CA4 2547/4885KIF11 3667/4885KMT2A 501/4885
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA CA4 2547/4885KIF11 3667/4885KMT2A 501/4885

“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.