SCHEMBL1153344

SCHEMBL1153344

COc1ccccc1C(O)(c1ccccc1OC)[C@H](NC(=O)C1(C(=O)N[C@H](c2ccccc2)C(O)(c2ccccc2OC)c2ccccc2OC)CC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 5/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SLC6A9 P48067 1/20 0.37
RBP4 P02753 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL1152551 0.95 L3MBTL1 (0.41) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL1153692 0.95 HTT (0.39) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL1153308 0.94 L3MBTL1 (0.40) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL4332813 0.84 ALDH1A1 (0.46) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL1153785 0.84 GAA (0.41) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL1153753 0.82 GAA (0.40) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL4339894 0.82 ALDH1A1 (0.44) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL808735 0.82 MEN1 (0.44) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL1152091 0.81 GAA (0.40) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL4337750 0.81 ALDH1A1 (0.45) ALDH1A1HPGDHTTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
US-7842839-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
EP-1698617-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-09-06 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-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof CYP3A7, GRK7, CYP2A7 ALDH1A1 610/4885HPGD 4153/4885HTT 3621/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ALDH1A1 610/4885HPGD 4153/4885HTT 3621/4885

“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.