SCHEMBL10440353

SCHEMBL10440353

Cc1ccc(CN)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
AMY1A P0DUB6 1/20 0.44
LMNA P02545 2/20 0.43
SLC6A2 P23975 2/20 0.43
CHRM1 P11229 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
PLG P00747 2/20 0.42
KLK1 P06870 2/20 0.42
KLK6 Q92876 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL29509787 0.82 AMY1A (0.59) TRPA1ALOX15HSD17B10ALDH1A1TP53
SCHEMBL775197 0.82 AMY1A (0.59) TRPA1ALOX15HSD17B10ALDH1A1TP53
SCHEMBL51100 0.81 AMY1A (0.57) TRPA1ALOX15HSD17B10ALDH1A1TP53
SCHEMBL3069923 0.79 TRPA1 (0.54) TRPA1ALOX15HSD17B10ALDH1A1TP53
SCHEMBL31191797 0.79 TRPA1 (0.54) TRPA1ALOX15HSD17B10ALDH1A1TP53
SCHEMBL1006287 0.79 TRPA1 (0.54) TRPA1ALOX15HSD17B10ALDH1A1TP53
SCHEMBL22859097 0.78 TAAR1 (0.52) ALOX15HSD17B10ALDH1A1TP53TDP1
SCHEMBL21917007 0.77 TRPA1 (0.52) TRPA1ALOX15HSD17B10ALDH1A1TP53
SCHEMBL3161137 0.77 TAAR1 (0.47) ALOX15TP53TDP1SLC6A2TAAR1
SCHEMBL14430064 0.77 TRPA1 (0.52) TRPA1ALOX15HSD17B10ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261415-A1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING WICHITA STATE UNIVERSITY 2020-08-20 US claimed
US-20190029998-A1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING WICHITA STATE UNIVERSITY 2019-01-31 US claimed
EP-3408270-A1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING Wichita State University (US) 2018-12-05 EP claimed
WO-2017132561-A1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING WICHITA STATE UNIVERSITY (US) 2017-08-03 WO claimed
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS VANDERBILT UNIVERSITY 2023-11-09 US disclosed
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER MTI BIOTECH, INC. 2023-10-19 US disclosed
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles VANDERBILT UNIVERSITY (US) 2023-07-11 US disclosed
EP-3408270-B1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING UNIV WICHITA STATE (US) 2021-12-15 EP disclosed
US-20200383938-A1 COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES VANDERBILT UNIVERSITY 2020-12-10 US disclosed
US-20200261415-A1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING WICHITA STATE UNIVERSITY 2020-08-20 US disclosed
US-10668048-B2 Compounds for inhibiting bacterial growth via phosphatidylglycerol binding WICHITA STATE UNIVERSITY (US) 2020-06-02 US disclosed
US-20190029998-A1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING WICHITA STATE UNIVERSITY 2019-01-31 US disclosed
EP-3408270-A1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING Wichita State University (US) 2018-12-05 EP disclosed
WO-2017132561-A1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING WICHITA STATE UNIVERSITY (US) 2017-08-03 WO disclosed
US-20150265584-A1 LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-09-24 US disclosed
EP-0352960-A2 Purine compounds, process for their preparation and pharmaceutical compositions SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-31 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 (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-20200383938-A1 COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES OGG1, LGMN, GLO1 TRPA1 1725/4885ALOX15 462/4885HSD17B10 646/4885
US-10668048-B2 Compounds for inhibiting bacterial growth via phosphatidylglycerol binding PEBP1, PHOSPHO1, BPGM TRPA1 4577/4885ALOX15 669/4885HSD17B10 1919/4885
US-20200261415-A1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING PEBP1, PHOSPHO1, BPGM TRPA1 4577/4885ALOX15 669/4885HSD17B10 1919/4885
US-20230355549-A1 METHOD OF PREVENTING KIDNEY INJURY DISRUPTION OF INTESTINAL LYMPHATICS FABP2, SI, MLN TRPA1 3226/4885ALOX15 621/4885HSD17B10 2890/4885
US-20230330049-A1 COMPOSITIONS AND METHODS OF USE OF GAMMA-KETOALDHEYDE SCAVENGERS FOR TREATING, PREVENTING OR IMPROVING FIBROSIS OF THE LIVER GGT1, GGH, AKR7A2 TRPA1 4358/4885ALOX15 510/4885HSD17B10 147/4885
US-20190029998-A1 COMPOUNDS FOR INHIBITING BACTERIAL GROWTH VIA PHOSPHATIDYLGLYCEROL BINDING PEBP1, PHOSPHO1, BPGM TRPA1 4577/4885ALOX15 669/4885HSD17B10 1919/4885
US-20150265584-A1 LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA H1-2, H1-4, H1-3 TRPA1 1983/4885ALOX15 705/4885HSD17B10 251/4885
US-11696903-B2 Compounds and methods for scavenging dicarbonyl electrophiles OGG1, LGMN, GLO1 TRPA1 1725/4885ALOX15 462/4885HSD17B10 646/4885

“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.