SCHEMBL4246167

SCHEMBL4246167

CCOC(=O)COc1cc(C)c(CC=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HPGD P15428 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
ESR1 P03372 1/20 0.44
USP2 O75604 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 2/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
NPSR1 Q6W5P4 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NTSR1 P30989 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL13653982 0.84 KDM4E (0.37) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL13658750 0.84 PTGDR2 (0.42) KDM4EHSD17B10TSHRCYP1A2NPSR1
SCHEMBL14106835 0.83 KDM4E (0.40) ALDH1A1KDM4ETSHRMAPTLMNA
SCHEMBL2250872 0.80 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL29843932 0.79 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL9507379 0.78 USP2 (0.57) ALDH1A1HPGDKDM4EUSP2MAPK1
SCHEMBL4798661 0.78 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL2251583 0.77 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL5178820 0.77 ESR1 (0.44) ALDH1A1HPGDKDM4EHSD17B10TSHR
SCHEMBL1417291 0.76 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHSD17B10TSHR

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
US-20090247781-A1 SYNTHESIS OF PHENOXYACETIC ACID DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-10-01 US disclosed
US-20090247781-A1 SYNTHESIS OF PHENOXYACETIC ACID DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-10-01 US disclosed
US-20090247781-A1 SYNTHESIS OF PHENOXYACETIC ACID DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-10-01 US disclosed
US-7402692-B2 Intermediates in producing phenoxyacetic acid derivatives and method of using the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-7396954-B2 Intermediates in producing phenoxyacetic acid preventives and method of using the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-08 US disclosed
US-7393968-B2 Intermediates in producing phenoxyacetic acid derivatives and method of using the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-01 US disclosed
US-20080045741-A1 INTERMEDIATES IN PRODUCING PHENOXYACETIC ACID DERIVATIVES AND METHOD OF USING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
US-20080045740-A1 INTERMEDIATES IN PRODUCING PHENOXYACETIC ACID PREVENTIVES AND METHOD OF USING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
US-20080045739-A1 INTERMEDIATES IN PRODUCING PHENOXYACETIC ACID DERIVATIVES AND METHOD OF USING THE SAME KISSEI PHARMACEUTICAL CO., LTD (JP) 2008-02-21 US disclosed
US-7329771-B2 Intermediates in producing phenoxyacetic acid derivatives and method of using the same KISSEI PHARMACEUTICALS CO., LTD. (JP) 2008-02-12 US disclosed
EP-1809591-A1 SYNTHESIS OF PHENOXYACETIC ACID DERIVATIVES Kissei Pharmaceutical Co., Ltd. (JP) 2007-07-25 EP disclosed
US-20070088174-A1 Synthesis of phenoxyacetic acid derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 US disclosed
US-20070088174-A1 Synthesis of phenoxyacetic acid derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 US disclosed
US-20070088174-A1 Synthesis of phenoxyacetic acid derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 US disclosed
US-20060135605-A1 Intermediates in producing phenoxyacetic acid derivatives and method of using the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
WO-2006045519-A1 SYNTHESIS OF PHENOXYACETIC ACID DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (GB) 2006-05-04 WO disclosed
EP-1535897-A1 INTERMEDIATES IN PRODUCING PHENOXYACETIC ACID DERIVATIVES AND METHOD OF USING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-01 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 (6 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-20070088174-A1 Synthesis of phenoxyacetic acid derivatives DDC, PAH, HPD ALDH1A1 5/4885HPGD 298/4885KDM4E 422/4885
US-20060135605-A1 Intermediates in producing phenoxyacetic acid derivatives and method of using the same ADRB3, ADRA1A, PAH ALDH1A1 304/4885HPGD 1381/4885KDM4E 2697/4885
US-20080045739-A1 INTERMEDIATES IN PRODUCING PHENOXYACETIC ACID DERIVATIVES AND METHOD OF USING THE SAME ADRB3, ADRA1A, PAH ALDH1A1 304/4885HPGD 1381/4885KDM4E 2697/4885
US-20090247781-A1 SYNTHESIS OF PHENOXYACETIC ACID DERIVATIVES DDC, PAH, HPD ALDH1A1 7/4885HPGD 308/4885KDM4E 414/4885
US-20080045740-A1 INTERMEDIATES IN PRODUCING PHENOXYACETIC ACID PREVENTIVES AND METHOD OF USING THE SAME ADRB3, PAH, SLC10A2 ALDH1A1 228/4885HPGD 1251/4885KDM4E 3001/4885
US-20080045741-A1 INTERMEDIATES IN PRODUCING PHENOXYACETIC ACID DERIVATIVES AND METHOD OF USING THE SAME ADRB3, ADRA1A, PAH ALDH1A1 304/4885HPGD 1381/4885KDM4E 2697/4885

“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.