SCHEMBL1496673

SCHEMBL1496673

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.35
CASP6 P55212 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 2/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
SRD5A2 P31213 1/20 0.33
HSPB1 P04792 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 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
SCHEMBL10918401 0.89 L3MBTL1 (0.39) ALDH1A1L3MBTL1KMT2AGAALMNA
SCHEMBL1496747 0.89 L3MBTL1 (0.40) ALDH1A1L3MBTL1KMT2AGAALMNA
SCHEMBL10433939 0.89 L3MBTL1 (0.40) ALDH1A1L3MBTL1KMT2AGAALMNA
SCHEMBL1496768 0.89 ALDH1A1 (0.39) ALDH1A1L3MBTL1KMT2AGAALMNA
SCHEMBL1496736 0.88 L3MBTL1 (0.40) ALDH1A1L3MBTL1KMT2AGAALMNA
SCHEMBL1496820 0.88 L3MBTL1 (0.40) ALDH1A1L3MBTL1KMT2AGAALMNA
SCHEMBL8979401 0.87 LMNA (0.39) ALDH1A1L3MBTL1KMT2AGAALMNA
SCHEMBL1496810 0.87 LMNA (0.39) ALDH1A1L3MBTL1KMT2AGAALMNA
SCHEMBL2923101 0.87 LMNA (0.39) ALDH1A1L3MBTL1KMT2AGAALMNA
SCHEMBL8106861 0.82 ALDH1A1 (0.36) ALDH1A1KMT2AGAALMNACASP6

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 201/4885L3MBTL1 992/4885KMT2A 1076/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 ALDH1A1 160/4885L3MBTL1 1739/4885KMT2A 1924/4885

“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.