SCHEMBL1496552

SCHEMBL1496552

COc1ccc(OCC(O)CBr)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 3/20 0.56
GAA P10253 2/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
POLB P06746 3/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 2/20 0.53
CYP2C9 P11712 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
ADRB3 P13945 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL1496571 0.85 USP2 (0.60) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL14901597 0.84 ALDH1A1 (0.49) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL14901593 0.84 MAPT (0.47) ALDH1A1MAPTMAPK1HTTPOLB
SCHEMBL6493739 0.82 TSHR (0.69) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL13204668 0.82 TSHR (0.69) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL1496665 0.82 POLB (0.57) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL1496759 0.82 TSHR (0.69) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL1496796 0.82 MAPK1 (0.59) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL1496545 0.82 TSHR (0.73) ALDH1A1MAPTMAPK1KDM4ETSHR
SCHEMBL13513194 0.81 KMT2A (0.47) KMT2AALDH1A1MEN1MAPTMAPK1

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 10 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
EP-1380342-B1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL CO (JP) 2009-07-01 EP 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
US-6995110-B2 Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-07 US disclosed
US-20040077487-A1 Complex catalyst, process for producing the complex catalyst, and process for producing alchohol derivative with the complex catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1380342-A1 COMPLEX CATALYST, PROCESS FOR PRODUCING THE COMPLEX CATALYST, AND PROCESS FOR PRODUCING ALCOHOL DERIVATIVE WITH THE COMPLEX CATALYST SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-01-14 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 KMT2A 1076/4885ALDH1A1 201/4885MEN1 2732/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 KMT2A 1924/4885ALDH1A1 160/4885MEN1 1807/4885

“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.