SCHEMBL1496686

SCHEMBL1496686

CCCCC(O)COc1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.68
KDM4E B2RXH2 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
S1PR1 P21453 1/20 0.49
PLA2G4B P0C869 1/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.43

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
SCHEMBL7798686 1.00 MAPK1 (0.68) MAPK1KDM4ETDP1MAPTKMT2A
SCHEMBL15007577 0.86 ALDH1A1 (0.51) MAPK1KDM4ETDP1MAPTALDH1A1
SCHEMBL1496740 0.85 KDM4E (0.51) MAPK1KDM4ETDP1MAPTKMT2A
SCHEMBL7798713 0.85 KDM4E (0.51) MAPK1KDM4ETDP1MAPTKMT2A
SCHEMBL26964384 0.85 MAPK1 (0.54) MAPK1KDM4ETDP1MAPTKMT2A
SCHEMBL7804269 0.85 TSHR (0.55) MAPK1KDM4ETDP1MAPTKMT2A
SCHEMBL1496504 0.85 TSHR (0.55) MAPK1KDM4ETDP1MAPTKMT2A
SCHEMBL1496622 0.83 CYP1A2 (0.53) MAPK1KDM4ETDP1MAPTKMT2A
SCHEMBL7804281 0.83 LMNA (0.56) MAPK1KDM4ETDP1MAPTKMT2A
SCHEMBL1496573 0.83 LMNA (0.56) MAPK1KDM4ETDP1MAPTKMT2A

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 14 patents. 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
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-1104395-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-06-06 EP disclosed
WO-2000009463-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-24 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 (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 MAPK1 1367/4885KDM4E 720/4885TDP1 4567/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 MAPK1 885/4885KDM4E 1201/4885TDP1 4829/4885

“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.