SCHEMBL1144205

SCHEMBL1144205

O=C(CCl)c1cc(Br)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.62
HPGD P15428 3/20 0.62
CES2 O00748 1/20 0.62
GALR3 O60755 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CASP1 P29466 1/20 0.62
CYP2C19 P33261 1/20 0.62
GSTA1 P08263 1/20 0.53
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 5/20 0.45
GAA P10253 4/20 0.45
AR P10275 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.43
RXFP1 Q9HBX9 1/20 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
SCHEMBL1429602 0.85 MAPT (0.51) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL29922078 0.85 MAPT (0.51) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL8347036 0.82 ALOX15 (0.64) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL29629345 0.82 ALOX15 (0.64) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL25666682 0.82 ALOX15 (0.64) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL2375910 0.81 HPGD (0.62) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL5474995 0.79 HPGD (0.60) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL8398733 0.79 KDM4E (0.61) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL32672680 0.79 KDM4E (0.61) ALOX15HPGDCES2GALR3CYP1A2
SCHEMBL12490526 0.79 GSK3B (0.43) ALOX15HPGDCES2GALR3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399509-B2 Glucopyranoside derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
US-8399509-B2 Glucopyranoside derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
US-8399509-B2 Glucopyranoside derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
EP-2260051-B1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-17 EP disclosed
US-20110028414-A1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-02-03 US disclosed
US-20110028414-A1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-02-03 US disclosed
US-20110028414-A1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-02-03 US disclosed
EP-2260051-A1 GLUCOPYRANOSIDE DERIVATIVES Merck Patent GmbH (DE) 2010-12-15 EP disclosed
WO-2009124638-A1 GLUCOPYRANOSIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-10-15 WO disclosed
US-6127388-A Azetidine, pyrrolidine and piperidine derivatives as 5-HT1D receptor agonists MERCK SHARP & DOHME LTD. (GB) 2000-10-03 US disclosed
US-5998416-A Piperazine, piperidine and tetrahydropyridine derivatives as 5-HT receptor agonists MERCK SHARP & DOHME LTD. (GB) 1999-12-07 US disclosed
EP-0906318-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AS 5-HT RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
EP-0906308-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
WO-1997045426-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-04 WO disclosed
WO-1997045432-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AS 5-HT RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-04 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 (1 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-20110028414-A1 GLUCOPYRANOSIDE DERIVATIVES UGGT1, SLC5A1, SLC5A2 ALOX15 3682/4885HPGD 1126/4885CES2 598/4885

“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.