SCHEMBL1496747

SCHEMBL1496747

O=[N+]([O-])c1ccc(F)c(F)c1OCC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
MAP2K1 Q02750 4/20 0.38
GAA P10253 2/20 0.38
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP6 P55212 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
AGTR1 P30556 1/20 0.34

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
SCHEMBL10433939 1.00 L3MBTL1 (0.40) L3MBTL1MAP2K1GAAGSTP1GSTM2
SCHEMBL1496673 0.89 ALDH1A1 (0.40) L3MBTL1GAALMNACASP6ALDH1A1
SCHEMBL1496736 0.88 L3MBTL1 (0.40) L3MBTL1GAALMNAMAPK1CASP6
SCHEMBL1496820 0.88 L3MBTL1 (0.40) L3MBTL1GAALMNACASP6ALDH1A1
SCHEMBL10918401 0.86 L3MBTL1 (0.39) L3MBTL1GAALMNACASP6ALDH1A1
SCHEMBL8979401 0.84 LMNA (0.39) L3MBTL1GAALMNAALDH1A1KMT2A
SCHEMBL2923101 0.84 LMNA (0.39) L3MBTL1GAALMNAALDH1A1KMT2A
SCHEMBL1496810 0.84 LMNA (0.39) L3MBTL1GAALMNAALDH1A1KMT2A
SCHEMBL1496768 0.83 ALDH1A1 (0.39) L3MBTL1GAALMNAALDH1A1KMT2A
SCHEMBL10434066 0.80 CA1 (0.43) L3MBTL1GAAMAPK1KMT2A

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 11 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
EP-0368410-A2 Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation GIST-BROCADES N.V. (NL) 1990-05-16 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 L3MBTL1 992/4885MAP2K1 370/4885GAA 3487/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 L3MBTL1 1739/4885MAP2K1 503/4885GAA 4041/4885

“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.