SCHEMBL1152501

SCHEMBL1152501

CC(C)C[C@@H](N(C(=O)C1(C(N)=O)CCC1)[C@H](CC(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
CYP2D6 P10635 4/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSL P07711 2/20 0.34
SLC6A2 P23975 1/20 0.32
MEN1 O00255 1/20 0.32
TTR P02766 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
CYP1A2 P05177 1/20 0.31
TP53 P04637 1/20 0.31
CHRM3 P20309 2/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31

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
SCHEMBL1153632 0.98 OPRK1 (0.41) OPRK1CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL1152944 0.97 OPRK1 (0.40) OPRK1CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL1153442 0.95 OPRK1 (0.45) OPRK1CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL1153014 0.90 OPRK1 (0.34) OPRK1SLC6A2KCNH2
SCHEMBL1153591 0.87 OPRK1 (0.34) OPRK1SLC6A2
SCHEMBL1153267 0.87 MC4R (0.34) OPRK1CYP2D6ALDH1A1
SCHEMBL1152999 0.86 OPRK1 (0.33) OPRK1SLC6A2MEN1KMT2A
SCHEMBL1153987 0.85 OPRK1 (0.37) OPRK1SLC6A2
SCHEMBL1153247 0.85 KDM4E (0.42) OPRK1CYP2D6ALDH1A1EPHX1CYP1A2
SCHEMBL1154114 0.84 MC4R (0.34) OPRK1SLC6A2LMNA

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 OPRK1 1341/4885CYP2D6 60/4885ALDH1A1 610/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 OPRK1 1341/4885CYP2D6 60/4885ALDH1A1 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.