SCHEMBL4444258

SCHEMBL4444258

O=C(O)c1ccc(C2CO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
TP53 P04637 1/20 0.52
SRD5A2 P31213 2/20 0.46
PARP1 P09874 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL13969751 0.89 ALDH1A1 (0.46) TSHRTP53SRD5A2PARP1TDP1
SCHEMBL25680334 0.83 TSHR (0.48) TSHRTP53SRD5A2TDP1CA1
SCHEMBL14391557 0.82 USP2 (0.44) TSHRTP53SRD5A2TDP1HPGD
SCHEMBL12385477 0.81 TSHR (0.46) TSHRPARP1ALDH1A1SMN1; SMN2LTA4H
SCHEMBL2619374 0.81 LMNA (0.49) TSHRPARP1HPGDALDH1A1SMN1; SMN2
SCHEMBL14966664 0.79 PRKAG1 (0.47) TSHRTP53HPGDALDH1A1
SCHEMBL46155 0.78 TSHR (0.72) TSHRPARP1
SCHEMBL730751 0.77 PRKAG1 (0.48) TSHRTP53SRD5A2HPGD
Bicarbonate SCHEMBL26676303 0.77 TSHR (0.81) TSHRPARP1ALDH1A1
Terephthalic Acid SCHEMBL28687 0.77 TSHR (0.57) TSHRTP53SRD5A2TDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025041533-A1 SEMICONDUCTOR SUBSTRATE PRODUCTION METHOD AND FILM-FORMING COMPOSITION JSR株式会社 2025-02-27 WO disclosed
US-8445179-B2 Method for treating a lithographic printing plate AGFA GRAPHICS NV (BE) 2013-05-21 US disclosed
US-8445179-B2 Method for treating a lithographic printing plate AGFA GRAPHICS NV (BE) 2013-05-21 US disclosed
US-20100137180-A1 METHOD FOR TREATING A LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2010-06-03 US disclosed
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 US disclosed
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 US disclosed
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 US disclosed
WO-2008152028-A1 A METHOD FOR TREATING A LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2008-12-18 WO disclosed
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 WO disclosed
US-20070009537-A1 Antimicrobial activity of antibodies producing reactive oxygen species WENTWORTH PAUL 2007-01-11 US disclosed
US-20060292076-A1 Antimicrobial mediated ozone generation SCRIPPS RESEARCH INSTITUTE, THE 2006-12-28 US disclosed
EP-1563062-A1 ANTIMICROBIAL ACTIVITY OF ANTIBODIES PRODUCING REACTIVE OXYGEN SPECIES Novartis AG (CH) 2005-08-17 EP disclosed
EP-1563299-A2 ANTIBODY- OR NEUTROPHIL-MEDIATED OZONE GENERATION Novartis AG (CH) 2005-08-17 EP disclosed
US-20050129680-A1 Antimicrobial activity of antibodies SCRIPPS RESEARCH INSTITUTE, THE 2005-06-16 US disclosed
US-20040157280-A1 Antibody mediated ozone generation SCRIPPS RESEARCH INSTITUTE, THE 2004-08-12 US disclosed
WO-2004044191-A1 ANTIMICROBIAL ACTIVITY OF ANTIBODIES PRODUCING REACTIVE OXYGEN SPECIES NOVARTIS AG (CH) 2004-05-27 WO disclosed
WO-2004044582-A2 ANTIBODY- OR NEUTROPHIL-MEDIATED OZONE GENERATION NOVARTIS AG (CH) 2004-05-27 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 (5 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-20060292076-A1 Antimicrobial mediated ozone generation MPO, LPO, NOX4 TSHR 3102/4885TP53 3280/4885SRD5A2 2575/4885
US-20070009537-A1 Antimicrobial activity of antibodies producing reactive oxygen species MPO, LPO, CYBB TSHR 3598/4885TP53 2806/4885SRD5A2 4494/4885
US-20050129680-A1 Antimicrobial activity of antibodies MPO, PRDX3, LPO TSHR 3758/4885TP53 2869/4885SRD5A2 4669/4885
US-20040157280-A1 Antibody mediated ozone generation MPO, NOX5, NOX4 TSHR 2162/4885TP53 2224/4885SRD5A2 2369/4885
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 TSHR 4811/4885TP53 772/4885SRD5A2 2380/4885

“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.