SCHEMBL10255083

SCHEMBL10255083

CC[C@@H](C)[C@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.58
LMNA P02545 2/20 0.58
ADRA2C P18825 2/20 0.56
KDM4E B2RXH2 2/20 0.56
ADRA2A P08913 1/20 0.56
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 2/20 0.54
CHRM2 P08172 1/20 0.52
ADRA1A P35348 1/20 0.52
RGS12 O14924 1/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
NFKB1 P19838 1/20 0.52
HTR2A P28223 1/20 0.52

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
SCHEMBL14388207 1.00 AOC3 (0.58) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL14387920 1.00 AOC3 (0.58) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL14388140 1.00 AOC3 (0.58) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL4828396 1.00 AOC3 (0.58) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL5160626 0.87 AOC3 (0.55) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL6736128 0.84 LMNA (0.59) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL7531733 0.83 AOC3 (0.59) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL1173366 0.83 AOC3 (0.59) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL20644456 0.82 AOC3 (0.40) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL359794 0.82 KDM4E (0.57) AOC3LMNAADRA2CKDM4EADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172840-A1 EPHEDRINE LIQUID FORMULATIONS FRESENIUS KABI AUSTRIA GMBH (AT) 2023-06-08 US disclosed
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2017-06-01 US disclosed
US-20170101441-A1 CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE Human BioMolecular Research Foundation (US) 2017-04-13 US disclosed
US-9586893-B2 Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV Janssen Pharmaceuticals (US) 2017-03-07 US disclosed
US-9549991-B2 Chemical and biochemical adducts as biomarkers for organophosphate exposure HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2017-01-24 US disclosed
US-20160089439-A1 Prevention of Illicit Manufacutre of Methamphetamine from Pseudoephedrine Using Food Flavor Excipients Satara Pharmaceuticals, LLC (US) 2016-03-31 US disclosed
US-9278134-B2 Dual functioning ionic liquids and salts thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-03-08 US disclosed
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2013-01-03 US disclosed
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-02-23 US disclosed
US-20110236931-A1 CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2011-09-29 US disclosed
US-7439400-B2 Amino alcohol ligand and its use in preparation of chiral proparglic tertiary alcohols and tertiary amines via enantioselective addition reaction SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2008-10-21 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US 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 (7 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-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 AOC3 277/4885LMNA 2244/4885ADRA2C 1495/4885
US-20230172840-A1 EPHEDRINE LIQUID FORMULATIONS EPHA5, EFNA1, EPHA1 AOC3 2445/4885LMNA 3872/4885ADRA2C 321/4885
US-20120046244-A1 DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF SLC6A6, SLC10A2, CLK2 AOC3 3911/4885LMNA 2694/4885ADRA2C 4121/4885
US-20160089439-A1 Prevention of Illicit Manufacutre of Methamphetamine from Pseudoephedrine Using Food Flavor Excipients PNMT, ACHE, COMT AOC3 3518/4885LMNA 2720/4885ADRA2C 321/4885
US-20110236931-A1 CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE AOX1, PTMS, GSTA2 AOC3 166/4885LMNA 3772/4885ADRA2C 4324/4885
US-20130005976-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 AOC3 277/4885LMNA 2244/4885ADRA2C 1495/4885
US-20170101441-A1 CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE PTMS, OGFRL1, AOX1 AOC3 53/4885LMNA 4554/4885ADRA2C 4413/4885

“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.