SCHEMBL1496768

SCHEMBL1496768

CCCCC(O)COc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
S1PR1 P21453 1/20 0.35
MAPT P10636 2/20 0.33
PLA2G4B P0C869 1/20 0.33
LMNA P02545 1/20 0.33
ALPG P10696 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TXNRD1 Q16881 1/20 0.33

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
SCHEMBL1496673 0.89 ALDH1A1 (0.40) ALDH1A1L3MBTL1GAAKMT2AMAPT
SCHEMBL10918401 0.84 L3MBTL1 (0.39) ALDH1A1L3MBTL1GAAKMT2AMAPT
SCHEMBL10433939 0.83 L3MBTL1 (0.40) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL1496747 0.83 L3MBTL1 (0.40) ALDH1A1L3MBTL1GAAKMT2ALMNA
SCHEMBL1496820 0.82 L3MBTL1 (0.40) ALDH1A1POLBL3MBTL1GAAKMT2A
SCHEMBL1496736 0.82 L3MBTL1 (0.40) ALDH1A1L3MBTL1GAAKMT2AMAPT
SCHEMBL8979401 0.82 LMNA (0.39) ALDH1A1L3MBTL1GAAKMT2AMAPT
SCHEMBL2923101 0.82 LMNA (0.39) ALDH1A1L3MBTL1GAAKMT2AMAPT
SCHEMBL1496810 0.82 LMNA (0.39) ALDH1A1L3MBTL1GAAKMT2AMAPT
SCHEMBL14626880 0.82 GRIN2D (0.45) ALDH1A1POLBKMT2AMAPTPLA2G4B

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 ALDH1A1 201/4885POLB 1743/4885L3MBTL1 992/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 ALDH1A1 160/4885POLB 2026/4885L3MBTL1 1739/4885

“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.