SCHEMBL2250872

SCHEMBL2250872

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ESR1 P03372 1/20 0.44
ABCB1 P08183 1/20 0.43
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL6809817 0.88 GAA (0.47) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL6813799 0.80 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL4246167 0.80 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL6813642 0.79 ESR1 (0.52) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL29843932 0.79 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL4798661 0.78 ALDH1A1 (0.43) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL6813349 0.78 ABCB1 (0.41) ALDH1A1TSHRHPGDESR1ABCB1
SCHEMBL6809927 0.78 L3MBTL1 (0.50) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL2251583 0.77 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL5178820 0.77 ESR1 (0.44) ALDH1A1TSHRKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003694-B2 Crystal of hydroxynorephedrin derivative hydrochloride ¼ hydrate KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US disclosed
US-7763654-B2 Crystal polymorph of hydroxynorephedrin derivative hydrochloride KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20090069421-A1 CRYSTAL POLYMORPH OF HYDROXYNOREPHEDRIN DERIVATIVE HYDROCHLORIDE KISSEI PHARMACEUTICAL CO., LTD, (JP) 2009-03-12 US disclosed
US-20090036526-A1 CRYSTAL OF HYDROXYNOREPHEDRIN DERIVATIVE HYDROCHLORIDE 1/4 HYDRATE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1426355-B1 CRYSTALS OF HYDROXYNOREPHEDRINE DERIVATIVE KISSEI PHARMACEUTICAL (JP) 2008-10-15 EP disclosed
EP-1878718-A1 CRYSTAL OF HYDROXYNOREPHEDRIN DERIVATIVE HYDROCHLORIDE 1/4 HYDRATE Kissei Pharmaceutical Co., Ltd. (JP) 2008-01-16 EP disclosed
EP-1878719-A1 CRYSTAL POLYMORPH OF HYDROXYNOREPHEDRIN DERIVATIVE HYDROCHLORIDE Kissei Pharmaceutical Co., Ltd. (JP) 2008-01-16 EP disclosed
US-7208520-B2 Crystals of hydroxynorephedrine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-24 US disclosed
US-20040242686-A1 Crystals of hydroxynorephedrine derivative KISSEI PHARMACEUTICAL CO. LTD. (JP) 2004-12-02 US disclosed
EP-1426355-A1 CRYSTALS OF HYDROXYNOREPHEDRINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2004-06-09 EP disclosed
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 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 (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-20090036526-A1 CRYSTAL OF HYDROXYNOREPHEDRIN DERIVATIVE HYDROCHLORIDE 1/4 HYDRATE HTR4, HTR1D, HTR3D ALDH1A1 536/4885TSHR 3708/4885KDM4E 310/4885
US-20090069421-A1 CRYSTAL POLYMORPH OF HYDROXYNOREPHEDRIN DERIVATIVE HYDROCHLORIDE HTR3A, HTR3C, HTR3B ALDH1A1 1336/4885TSHR 3959/4885KDM4E 1310/4885
US-20040242686-A1 Crystals of hydroxynorephedrine derivative ADRA2C, ADRB2, ADRA2A ALDH1A1 363/4885TSHR 1972/4885KDM4E 980/4885

“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.