SCHEMBL1153359

SCHEMBL1153359

CC(C)(C)[C@@H](N(C(=O)C1(C(N)=O)CCCC1)[C@H](C(C)(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.34
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 2/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AKR1C1 Q04828 1/20 0.32
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
KCNA5 P22460 1/20 0.31
CHRM3 P20309 1/20 0.30
SSTR4 P31391 1/20 0.30

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
SCHEMBL1153302 0.99 OPRK1 (0.40) OPRK1KMT2AMAPTLMNACYP2D6
SCHEMBL1153642 0.97 OPRK1 (0.41) OPRK1KMT2AMAPTLMNACYP2D6
SCHEMBL1152606 0.95 OPRK1 (0.45) OPRK1KMT2AMAPTLMNACYP2D6
SCHEMBL1153296 0.89 OPRK1 (0.33) OPRK1
SCHEMBL1154189 0.88 OPRK1 (0.33) OPRK1
SCHEMBL1153855 0.86 OPRK1 (0.33) OPRK1
SCHEMBL1153089 0.86 AOC3 (0.35) OPRK1MAPTLMNAHSD11B1ALDH1A1
SCHEMBL1154105 0.85 OPRK1 (0.41) OPRK1KMT2AMAPTLMNACYP2D6
SCHEMBL1153759 0.85 SLC6A4 (0.34) KMT2AMAPTLMNAALDH1A1HSD17B10
SCHEMBL1152638 0.85 OPRK1 (0.42) OPRK1KMT2AMAPTLMNACYP2D6

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 1341/4885KMT2A 3425/4885MAPT 4172/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 OPRK1 1341/4885KMT2A 3425/4885MAPT 4172/4885

“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.