SCHEMBL8746586

SCHEMBL8746586

COCCOCCOCCOC(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 6/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCB11 O95342 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2B P18089 1/20 0.37
OPRD1 P41143 1/20 0.37
SCN5A Q14524 1/20 0.37
CA2 P00918 1/20 0.35
EPHX2 P34913 2/20 0.33
THRB P10828 1/20 0.33
SERPINE1 P05121 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1277874 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9333256 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9333564 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9333587 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9333535 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL540169 1.00 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL163984 0.93
SCHEMBL1063406 0.87 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28555010 0.87 EPHX2 (0.42) TSHRALDH1A1ABCB11CYP3A4ADRA2B
SCHEMBL7878546 0.87 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547698-B2 Aryl hydrocarbon receptor modulators ARIAGEN, INC. (US) 2023-01-10 US disclosed
US-20200157053-A1 Method of Treating or Inhibiting Malaria UNIV OREGON HEALTH & SCIENCE (US) 2020-05-21 US disclosed
US-10584098-B2 Quinolone-3-diarylethers OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-03-10 US disclosed
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR PHARMACEUTICALS, INC. 2019-10-31 US disclosed
US-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-10-10 US disclosed
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-09-19 US disclosed
US-20180362465-A1 QUINOLONE-3-DIARYLETHERS UNIV OREGON HEALTH & SCIENCE (US) 2018-12-20 US disclosed
WO-2017015360-A1 QUINOLONE-3-DIARYLETHERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-26 WO disclosed
US-20170022164-A1 QUINOLONE-3-DIARYLETHERS UNIV OREGON HEALTH & SCIENCE (US) 2017-01-26 US disclosed
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
WO-2013044361-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-04-04 WO disclosed
EP-0619320-B1 5-O-DESOSAMINYLERYTHRONOLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 1997-05-21 EP disclosed
US-5631354-A ERYTHROMYCIN DERIVATIVES WITH IMPROVED ANTIBACTERIAL ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1997-05-20 US disclosed
EP-0619319-B1 5-0-DESOSAMINYLERYTHRONOLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 1997-03-05 EP disclosed
US-5523399-A MACROLIDE ANTIBIOTICS HAVING A STRONG ANTIBACTERIAL ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-06-04 US disclosed
EP-0619319-A1 5-0-DESOSAMINYLERYTHRONOLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1994-10-12 EP disclosed
EP-0619320-A1 5-O-DESOSAMINYLERYTHRONOLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1994-10-12 EP disclosed
US-5350839-A Esters to improve taste and remove bitterness TAISHO PHARMACEUTICAL CO., LTD. (JP) 1994-09-27 US disclosed
EP-0553353-A1 2'-MODIFIED ERYTHROMYCIN OR DERIVATIVE THEREOF TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-08-04 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 (9 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-20190307731-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 TSHR 41/4885ALDH1A1 488/4885TP53 1114/4885
US-11547698-B2 Aryl hydrocarbon receptor modulators AHR, ARNT, CNR1 TSHR 31/4885ALDH1A1 630/4885TP53 2505/4885
US-20180362465-A1 QUINOLONE-3-DIARYLETHERS RECQL, ELANE, ELF3 TSHR 4838/4885ALDH1A1 2150/4885TP53 1929/4885
US-20170022164-A1 QUINOLONE-3-DIARYLETHERS RECQL, ELANE, ELF3 TSHR 4838/4885ALDH1A1 2150/4885TP53 1929/4885
US-10584098-B2 Quinolone-3-diarylethers RECQL, ELANE, ELF3 TSHR 4838/4885ALDH1A1 2150/4885TP53 1929/4885
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 TSHR 41/4885ALDH1A1 488/4885TP53 1013/4885
US-20190330201-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, CNR1 TSHR 31/4885ALDH1A1 630/4885TP53 2505/4885
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 TSHR 766/4885ALDH1A1 4375/4885TP53 573/4885
US-20200157053-A1 Method of Treating or Inhibiting Malaria ELANE, ELF3, ELOB TSHR 4588/4885ALDH1A1 2432/4885TP53 4492/4885

“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.