SCHEMBL1496497

SCHEMBL1496497

CCC(O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 5/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
PTGS2 P35354 1/20 0.53
LMNA P02545 1/20 0.52
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DRD4 P21917 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL15060972 1.00 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL15060886 1.00 ALDH1A1 (0.70) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL7270186 0.90 ALDH1A1 (0.68) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL18587967 0.86 ALDH1A1 (0.65) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL28531533 0.86 ALDH1A1 (0.64) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL11569325 0.85 ALDH1A1 (0.63) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL1496537 0.85 GAA (0.68) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL1496684 0.85 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL11036094 0.85 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL7805047 0.85 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2MEN1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374791-B Method for producing optically active alcohol compound SUMITOMO CO LTD 2012-07-18 CN disclosed
CN-101374792-B Method for producing optically active alcohol compound SUMITOMO CHEMICAL CO 2012-03-28 CN disclosed
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
CN-101374792-A Method for producing optically active alcohol compound SUMITOMO CHEMICAL CO (JP) 2009-02-25 CN disclosed
CN-101374791-A Method for producing optically active alcohol compound SUMITOMO CHEMICAL CO (JP) 2009-02-25 CN disclosed
US-20090012330-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 US disclosed
EP-1982973-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-10-22 EP disclosed
US-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2006-11-23 US disclosed
CN-1281320-C Complex catalyst process for producing the complex catalyst and process for producing alcohol derivative with the complex catalyst SUMITOMO CHEMICAL CO (JP) 2006-10-25 CN 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
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 EP disclosed
CN-1503696-A Complex catalyst, process for producing the complex catalyst, and process for producing alcohol derivative using the complex catalyst ס�ѻ�ѧ��ҵ��ʽ���� 2004-06-09 CN 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
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-10-30 US disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 EP disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO 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 (4 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-20060264480-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 ALDH1A1 1887/4885GAA 2336/4885SMN1; SMN2 1555/4885
US-20090012330-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 ALDH1A1 201/4885GAA 3487/4885SMN1; SMN2 4762/4885
US-20030203944-A1 Novel thiocarbamic acid derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TRPV5 ALDH1A1 1887/4885GAA 2336/4885SMN1; SMN2 1555/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 ALDH1A1 160/4885GAA 4041/4885SMN1; SMN2 4298/4885

“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.