SCHEMBL1152978

SCHEMBL1152978

COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](C)N(C(=O)C2(C(N)=O)CCCCC2)[C@H](C)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 6/20 0.39
ALDH1A1 P00352 1/20 0.35
SLC6A2 P23975 4/20 0.34
LMNA P02545 2/20 0.34
CNR1 P21554 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ALOX5 P09917 1/20 0.34
CYP19A1 P11511 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL1153283 0.99 SLC6A4 (0.36) SLC6A4SLC6A3ALDH1A1ALOX5POLB
SCHEMBL1153240 0.96 ALOX5 (0.34) SLC6A4SLC6A3ALDH1A1ALOX5NPC1
SCHEMBL1153061 0.94 OPRK1 (0.36) ALOX5CYP17A1CYP3A4
SCHEMBL1152920 0.89 SLC6A4 (0.37) SLC6A4SLC6A3ALDH1A1SLC6A2LMNA
SCHEMBL1153505 0.87 SLC6A4 (0.35) SLC6A4SLC6A3ALDH1A1SLC6A2ALOX5
SCHEMBL1153133 0.87 OPRK1 (0.34) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL1153759 0.86 SLC6A4 (0.34) SLC6A4SLC6A3ALDH1A1SLC6A2LMNA
SCHEMBL1153209 0.86 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL1153034 0.85 OPRK1 (0.34) ALOX5
SCHEMBL1154110 0.85 OPRK1 (0.41) ALDH1A1SLC6A2LMNAMEN1KMT2A

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 SLC6A4 3753/4885SLC6A3 4072/4885ALDH1A1 610/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 SLC6A4 3753/4885SLC6A3 4072/4885ALDH1A1 610/4885

“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.