SCHEMBL828538

SCHEMBL828538

CC(C)NCCC(O)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.52
TAAR1 Q96RJ0 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HTR1A P08908 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NMUR2 Q9GZQ4 1/20 0.52
CYP2C9 P11712 1/20 0.52
ADRB2 P07550 5/20 0.51
TSHR P16473 3/20 0.47
NFKB1 P19838 2/20 0.47
HTR3A P46098 1/20 0.47
LMNA P02545 3/20 0.46
ADRB1 P08588 3/20 0.46
CYP2D6 P10635 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46

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
SCHEMBL22957657 0.84 GAA (0.54) HIF1ATDP1KDM4EALDH1A1HTR1A
SCHEMBL22957831 0.84 GAA (0.54) HIF1ATDP1KDM4EALDH1A1HTR1A
SCHEMBL12312535 0.83 CYP2D6 (0.54) HIF1AKDM4EALDH1A1HTR1ASMN1; SMN2
SCHEMBL12312536 0.83 CYP2D6 (0.54) HIF1AKDM4EALDH1A1HTR1ASMN1; SMN2
SCHEMBL10535014 0.83 CYP2D6 (0.54) HIF1AKDM4EALDH1A1HTR1ASMN1; SMN2
Deterenol SCHEMBL828537 0.81 ADRB2 (0.67) HIF1ATAAR1TDP1KDM4EALDH1A1
Deterenol SCHEMBL31419987 0.81 ADRB2 (0.67) HIF1ATAAR1TDP1KDM4EALDH1A1
Deterenol SCHEMBL120979 0.79 ADRB2 (0.67) HIF1ATAAR1TDP1KDM4EALDH1A1
SCHEMBL26326758 0.76 ADRB1 (0.46) HIF1ATDP1KDM4EALDH1A1BLM
SCHEMBL11691253 0.76 MEN1 (0.45) HIF1ATAAR1TDP1KDM4EALDH1A1

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 243 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377779-B2 Carbonate prodrugs and methods of using the same ACORDA THERAPEUTICS, INC. (US) 2019-08-13 US claimed
US-20190125699-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN CIPHER PHARMACEUTICALS INC. (CA) 2019-05-02 US claimed
US-20180086778-A1 CARBONATE PRODRUGS AND METHODS OF USING THE SAME NEUROGESX, INC. 2018-03-29 US claimed
EP-2961730-A2 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XenoPort, Inc. (US) 2016-01-06 EP claimed
US-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2015-06-11 US claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
WO-2014134005-A2 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2014-09-04 WO claimed
US-20140243544-A1 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2014-08-28 US claimed
CN-101486668-B Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT INC 2014-07-02 CN claimed
US-20130237607-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION DEVELOPMENT A/S (DK) 2013-09-12 US claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US claimed
EP-1719507-A1 Beta-2 adrenoceptor agonists for treating connective tissue diseases of the skin Astion Development A/S (DK) 2006-11-08 EP claimed
WO-2006108424-A2 BETA-2 ADRENOCEPTOR AGONISTS FOR TREATING CONNECTIVE TISSUE DISEASES OF THE SKIN ASTION PHARMA A/S (DK) 2006-10-19 WO claimed
US-20060235048-A1 Treatment of connective tissue diseases of the skin ASTION DEVELOPMENT A/S 2006-10-19 US claimed
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. 2005-10-27 US claimed
US-6927036-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XERO PORT, INC. (US) 2005-08-09 US claimed
US-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 US claimed
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 WO claimed
EP-0046270-B1 NOVEL DERIVATIVES OF BIO-AFFECTING PHENOLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITION CONTAINING THEM INTERx RESEARCH CORPORATION (US) 1986-05-21 EP claimed
EP-0046270-A1 Novel derivatives of bio-affecting phenolic compounds and pharmaceutical composition containing them INTERx RESEARCH CORPORATION (US) 1982-02-24 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20130237607-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A HIF1A 2127/4885TAAR1 248/4885TDP1 2248/4885
US-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS CPS1, CA7, NAAA HIF1A 2396/4885TAAR1 1519/4885TDP1 890/4885
US-20060235048-A1 Treatment of connective tissue diseases of the skin ADRB2, ADRB1, ADRA2A HIF1A 2127/4885TAAR1 248/4885TDP1 2248/4885
US-20140243544-A1 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS CPS1, CA7, NAAA HIF1A 2396/4885TAAR1 1519/4885TDP1 890/4885
US-10377779-B2 Carbonate prodrugs and methods of using the same CA6, CA7, CA4 HIF1A 413/4885TAAR1 3386/4885TDP1 1655/4885
US-20180086778-A1 CARBONATE PRODRUGS AND METHODS OF USING THE SAME CA6, CA7, CA4 HIF1A 413/4885TAAR1 3386/4885TDP1 1655/4885
US-20190125699-A1 TREATMENT OF CONNECTIVE TISSUE DISEASES OF THE SKIN ADRB2, ADRB1, ADRA2A HIF1A 2127/4885TAAR1 248/4885TDP1 2248/4885
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, ABHD5 HIF1A 2092/4885TAAR1 2197/4885TDP1 1186/4885

“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.