SCHEMBL6141237

SCHEMBL6141237

CCC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 1/20 0.56
GAA P10253 1/20 0.55
RAB9A P51151 2/20 0.54
IDO1 P14902 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.53
HTR2A P28223 1/20 0.53
AKR1C3 P42330 1/20 0.53
MAOB P27338 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
SCHEMBL9518912 0.88 ALDH1A1 (0.55) ALDH1A1MAPTGAARAB9AIDO1
SCHEMBL28374567 0.87 BCL9 (0.63) ALDH1A1MAPTGAARAB9AIDO1
SCHEMBL1555636 0.86 ALDH1A1 (0.59) ALDH1A1MAPTGAARAB9AIDO1
SCHEMBL9344653 0.86 LMNA (0.57) ALDH1A1MAPTGAARAB9AIDO1
SCHEMBL7899725 0.85 ALDH1A1 (0.53) ALDH1A1MAPTGAARAB9AIDO1
SCHEMBL7729899 0.85 ALDH1A1 (0.58) ALDH1A1MAPTGAARAB9AIDO1
SCHEMBL5235557 0.85 IDO1 (0.56) ALDH1A1MAPTGAARAB9AIDO1
SCHEMBL13296291 0.85 ALDH1A1 (0.42) ALDH1A1MAPTGAARAB9AL3MBTL1
SCHEMBL29288517 0.84 RAB9A (0.56) ALDH1A1MAPTGAARAB9AIDO1
SCHEMBL10592367 0.84 ALDH1A1 (0.49) ALDH1A1MAPTGAARAB9AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200360317-A1 CARBOXYLIC ACIDS FOR TREATING/PREVENTING A SKIN DISEASE PROPONENT BIOTECH GMBH (CH) 2020-11-19 US claimed
US-20190160030-A1 CARBOXYLIC ACIDS FOR EARLY CHILDHOOD APPLICATION PROPONENT BIOTECH GMBH (CH) 2019-05-30 US claimed
US-20160250168-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2016-09-01 US claimed
US-20150246015-A1 Esters of Short Chains Fatty Acids for Use in the Treatment of Immunogenic Disorders PROPONENT BIOTECH GMBH (CH) 2015-09-03 US claimed
EP-2903608-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS Proponent Biotech GmbH (CH) 2015-08-12 EP claimed
WO-2014053592-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2014-04-10 WO claimed
WO-2012131069-A1 SHORT CHAIN FATTY ACIDS AND THEIR DERIVATIVES FOR USE IN TREATMENT IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2012-10-04 WO claimed
US-20200360317-A1 CARBOXYLIC ACIDS FOR TREATING/PREVENTING A SKIN DISEASE PROPONENT BIOTECH GMBH (CH) 2020-11-19 US disclosed
EP-2903608-B1 PHARMACEUTICAL COMPOSITION COMPRISING PROPIONIC ACID FOR USE IN THE TREATMENT OF VIRAL INFECTIONS PROPONENT BIOTECH GMBH (CH) 2019-08-28 EP disclosed
US-20190160030-A1 CARBOXYLIC ACIDS FOR EARLY CHILDHOOD APPLICATION PROPONENT BIOTECH GMBH (CH) 2019-05-30 US disclosed
US-9884032-B2 Esters of short chains fatty acids for use in the treatment of immunogenic disorders PROPONENT BIOTECH GMBH (CH) 2018-02-06 US disclosed
US-20160250168-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2016-09-01 US disclosed
US-9415033-B2 Esters of short chains fatty acids for use in the treatment of immunogenic disorders PROPONENT BIOTECH GMBH (CH) 2016-08-16 US disclosed
WO-2012131069-A1 SHORT CHAIN FATTY ACIDS AND THEIR DERIVATIVES FOR USE IN TREATMENT IMMUNOGENIC DISORDERS PROPONENT BIOTECH GMBH (CH) 2012-10-04 WO disclosed
US-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF BLUE OWL CAPITAL CORPORATION, AS NEW AGENT 2012-07-26 US disclosed
US-20120157706-A1 Methods and Compositions for Preparing Lisdexamfetamine and Salts Thereof AVISTA PHARMA SOLUTIONS, INC. 2012-06-21 US disclosed
CN-101967096-A 3-[4-(alkoxy) phenyl] propionate compound and preparation method and application thereof UNIV SICHUAN 2011-02-09 CN disclosed
US-7407952-B2 Reverse-turn mimetics and compositions and methods related thereto MYRIAD GENETICS, INC. (US) 2008-08-05 US disclosed
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO 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-20120190880-A1 METHODS AND COMPOSITIONS FOR PREPARATION OF AMPHETAMINE CONJUGATES AND SALTS THEREOF PNMT, COMT, DDT ALDH1A1 616/4885MAPT 350/4885GAA 415/4885
US-20160250168-A1 ESTERS OF SHORT CHAINS FATTY ACIDS FOR USE IN THE TREATMENT OF IMMUNOGENIC DISORDERS TSLP, HLA-DRB1, LTA ALDH1A1 1571/4885MAPT 1948/4885GAA 638/4885
US-20120157706-A1 Methods and Compositions for Preparing Lisdexamfetamine and Salts Thereof SLC6A3, COMT, LPXN ALDH1A1 1883/4885MAPT 60/4885GAA 25/4885
US-20150246015-A1 Esters of Short Chains Fatty Acids for Use in the Treatment of Immunogenic Disorders TSLP, HLA-DRB1, LTA ALDH1A1 1571/4885MAPT 1948/4885GAA 638/4885

“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.