SCHEMBL4108699

SCHEMBL4108699

COC(=O)Cc1ccc(O)c(I)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ GFER P55789 1/20 0.66
▸ HSP90AB1 P08238 1/20 0.53
▸ CYP4F2 P78329 1/20 0.50
▸ CYP4A11 Q02928 1/20 0.50
▸ PCNA P12004 4/20 0.49
▸ HPGD P15428 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47

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
Potassium Ion SCHEMBL7994403 0.94 GAA (0.59) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL3858898 0.86 GAA (0.61) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL3668882 0.84 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL29446278 0.84 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL30716575 0.83 ALOX5 (0.51) GAAALDH1A1GFERPCNAHPGD
SCHEMBL1746504 0.83 ALOX5 (0.51) GAAALDH1A1GFERPCNAHPGD
SCHEMBL13014917 0.83 ALDH1A1 (0.53) GAAALDH1A1GFERHSP90AB1CYP4F2
Methyl Alcohol SCHEMBL27946196 0.82 GAA (0.70) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL14768426 0.82 GAA (0.70) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL14485394 0.82 HSP90AB1 (0.66) GAAALDH1A1GFERHSP90AB1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 — — US disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 — — US disclosed
US-20140315881-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-10-23 — — US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 — — US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 — — US disclosed
US-20140155381-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2014-06-05 — — US disclosed
EP-2736332-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 — — EP disclosed
EP-2736330-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2014-06-04 — — EP disclosed
WO-2013019653-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 — — WO disclosed
WO-2013019682-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-02-07 — — WO disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 — — US disclosed
US-7321065-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-01-22 — — US disclosed
EP-1778665-A1 PROCESS FOR THE PREPARATION OF 11-[(Z)-3-(DIMETHYLAMINO)PROPYLIDENE]-6,11-DIHYDRO-DIBENZ[B,E]OXEPIN-2-YL]ACETIC ACID Urquima S.A. (ES) 2007-05-02 — — EP disclosed
WO-2006010459-A1 PROCESS FOR THE PREPARATION OF 11-[(Z)-3-(DIMETHYLAMINO)PROPYLIDENE]-6,11-DIHYDRO-DIBENZ[B,E]OXEPIN-2-YL]-ACETIC ACID URQUIMA S.A. (ES) 2006-02-02 — — WO disclosed
EP-1490047-A4 CERTAIN PHARMACEUTICALLY USEFUL SUBSTITUTED AMINOALKYL HETEROCYCLES SMITHKLINE BEECHAM CORP (US) 2006-01-04 — — EP disclosed
US-20050165045-A1 Compounds and methods GLAXOSMITHKLINE LLC 2005-07-28 — — US disclosed
EP-1490047-A2 CERTAIN PHARMACEUTICALLY USEFUL SUBSTITUTED AMINOALKYL HETEROCYCLES SmithKline Beecham Corporation (US) 2004-12-29 — — EP disclosed
WO-2003082192-A2 CERTAIN PHARMACEUTICALLY USEFUL SUBSTITUTED AMINOALKYL HETEROCYCLES SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — WO disclosed
WO-2001090105-A1 ISOTHIAZOLES AS PESTICIDES SYNGENTA LIMITED (GB) 2001-11-29 — — WO disclosed
WO-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 — — 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 (3 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-20050165045-A1 Compounds and methods NR1H3, NR1H2, PPARA GAA 1162/4885ALDH1A1 1291/4885GFER 1965/4885
US-20140155381-A1 COMPOUNDS AND METHODS RORC, RORB, RORA GAA 1822/4885ALDH1A1 820/4885GFER 2159/4885
US-20140315881-A1 COMPOUNDS AND METHODS RORC, RORB, RORA GAA 1822/4885ALDH1A1 820/4885GFER 2159/4885

“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.

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