SCHEMBL1496545

SCHEMBL1496545

COc1cccc(OCC(O)CBr)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
MAPK1 P28482 1/20 0.73
KDM4E B2RXH2 2/20 0.68
TP53 P04637 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
HIF1A Q16665 1/20 0.55
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.53
CASR P41180 1/20 0.53
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52

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
SCHEMBL13572916 0.85 TSHR (0.76) TSHRMAPK1KDM4ETP53L3MBTL1
SCHEMBL6256165 0.83 MAPK1 (0.73) TSHRMAPK1KDM4ETP53L3MBTL1
SCHEMBL11276663 0.83 TSHR (0.73) TSHRMAPK1KDM4ETP53L3MBTL1
SCHEMBL3630199 0.83 MAPK1 (0.73) TSHRMAPK1KDM4ETP53L3MBTL1
SCHEMBL1496524 0.83 ADRB2 (0.64) TSHRMAPK1KDM4EL3MBTL1HIF1A
SCHEMBL1496552 0.82 KMT2A (0.56) TSHRMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL1496491 0.81 TSHR (0.70) TSHRMAPK1KDM4ETP53L3MBTL1
SCHEMBL29847698 0.81 TSHR (0.70) TSHRMAPK1KDM4ETP53L3MBTL1
SCHEMBL22640124 0.81 KDM4E (1.00) TSHRMAPK1KDM4ETP53L3MBTL1
SCHEMBL22640088 0.81 KDM4E (1.00) TSHRMAPK1KDM4ETP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906667-B2 Method for producing optically active alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-15 US disclosed
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
US-7728179-B2 Method for producing optically active alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-01 US disclosed
US-20090012330-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 US disclosed
EP-1982972-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-10-22 EP disclosed
EP-1982973-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-10-22 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 (2 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-20090012330-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 TSHR 1213/4885MAPK1 1367/4885KDM4E 720/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 TSHR 1138/4885MAPK1 885/4885KDM4E 1201/4885

“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.