SCHEMBL4344296

SCHEMBL4344296

CCC(O)(CC)C(N)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.49
SLC6A2 P23975 11/20 0.47
SLC6A4 P31645 11/20 0.47
SLC6A3 Q01959 11/20 0.47
AOC3 Q16853 2/20 0.46
KCNH2 Q12809 6/20 0.43
CYP2D6 P10635 4/20 0.43
CYP3A4 P08684 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
ATM Q13315 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 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
SCHEMBL808777 1.00 UGT2B7 (0.49) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL809248 0.87 SLC6A2 (0.48) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL4335706 0.87 SLC6A2 (0.48) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL808975 0.84 UGT2B7 (0.44) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL27653543 0.84 UGT2B7 (0.44) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL809116 0.84 UGT2B7 (0.50) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL809174 0.83 UGT2B7 (0.42) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL808779 0.82 UGT2B7 (0.41) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL808938 0.81 UGT2B7 (0.53) UGT2B7SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL808826 0.81 UGT2B7 (0.53) UGT2B7SLC6A2SLC6A4SLC6A3AOC3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
CN-100436406-C Process for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN disclosed
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
CN-1898193-A Method for producing optically active bisamidealcohol compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN 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 (1 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-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 UGT2B7 2124/4885SLC6A2 2607/4885SLC6A4 2470/4885

“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.