SCHEMBL1496691

SCHEMBL1496691

OC(CCl)COc1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
GAA P10253 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.54
CYP1A2 P05177 3/20 0.45
KDM4E B2RXH2 2/20 0.45
AGTR1 P30556 1/20 0.45
LMNA P02545 1/20 0.45
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.42
HTR7 P34969 1/20 0.42
ALOX15 P16050 2/20 0.41
NR2E1 Q9Y466 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL11871935 0.87 CYP1A2 (0.56) KMT2AMEN1GAASMN1; SMN2CYP1A2
SCHEMBL1496556 0.84 KMT2A (0.63) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL1496619 0.84 CYP1A2 (0.64) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL28670310 0.84 CYP1A2 (0.64) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL14901592 0.83 ADRB2 (0.49) KMT2AMEN1GAACYP1A2KDM4E
SCHEMBL1496804 0.82 KMT2A (0.62) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL768326 0.82 ALOX15 (0.61) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL768327 0.82 ALOX15 (0.61) KMT2AMEN1GAAATMSMN1; SMN2
SCHEMBL14901599 0.81 CYP1A2 (0.51) KMT2AMEN1GAASMN1; SMN2CYP1A2
SCHEMBL19703853 0.79 CYP1A2 (0.45) KMT2AMEN1GAASMN1; SMN2CYP1A2

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 12 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

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 KMT2A 1076/4885MEN1 2732/4885GAA 3487/4885
US-20100234629-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 KMT2A 1924/4885MEN1 1807/4885GAA 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.