SCHEMBL1153733

SCHEMBL1153733

COc1ccc(C(O)(c2ccc(OC)cc2)[C@H](NC(=O)C2(C(=O)N[C@H](C(C)C)C(O)(c3ccc(OC)cc3)c3ccc(OC)cc3)CC2)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CACNA1I Q9P0X4 1/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL1153502 0.95 ALDH1A1 (0.39) PLK1ALDH1A1TSHRMAPTMEN1
SCHEMBL1153824 0.95 ALDH1A1 (0.39) PLK1ALDH1A1TSHRMAPTMEN1
SCHEMBL1152917 0.94 ALDH1A1 (0.39) PLK1ALDH1A1TSHRMAPTMEN1
SCHEMBL1153059 0.86 ALDH1A1 (0.40) PLK1ALDH1A1TSHRMAPTMEN1
SCHEMBL1152376 0.84 MAPT (0.40) PLK1ALDH1A1TSHRMAPTMEN1
SCHEMBL1153795 0.83 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL4349564 0.83 PLK1 (0.45) PLK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1153709 0.82 ANPEP (0.44) ALDH1A1TSHRMEN1KMT2ARAB9A
SCHEMBL1153237 0.82 ALDH1A1 (0.41) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1153280 0.82 ALDH1A1 (0.41) ALDH1A1TSHRMAPTMEN1KMT2A

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 PLK1 2795/4885ALDH1A1 610/4885TSHR 2791/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 PLK1 2795/4885ALDH1A1 610/4885TSHR 2791/4885

“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.