SCHEMBL1153300

SCHEMBL1153300

CC(C)(C)[C@@H](NC(=O)C1(C(=O)N[C@H](C(C)(C)C)C(O)(c2ccccc2)c2ccccc2)CCCCC1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HDAC4 P56524 3/20 0.36
OPRM1 P35372 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CETP P11597 4/20 0.35
FAAH O00519 2/20 0.35
SSTR4 P31391 1/20 0.35
AKR1C1 Q04828 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP1 P03956 1/20 0.34
P2RX7 Q99572 1/20 0.33
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 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
SCHEMBL1153357 0.99 ALDH1A1 (0.38) HSD11B1ALDH1A1HDAC4OPRM1SIGMAR1
SCHEMBL1153640 0.96 ALDH1A1 (0.38) HSD11B1ALDH1A1HDAC4SSTR4CYP2D6
SCHEMBL1152604 0.93 ALDH1A1 (0.37) ALDH1A1HDAC4SSTR4CYP2D6CYP2C19
SCHEMBL1154187 0.88 MEN1 (0.34) ALDH1A1CYP2C19
SCHEMBL1153294 0.86 MAPT (0.34) ALDH1A1CYP2D6CYP2C19
SCHEMBL1153757 0.85 MAPT (0.38) ALDH1A1FAAHHSD17B10MMP1LMNA
SCHEMBL1153852 0.84 CASP1 (0.35) ALDH1A1CYP2D6CYP2C19
SCHEMBL1153485 0.84 ALDH1A1 (0.40) HSD11B1ALDH1A1HDAC4OPRM1SIGMAR1
SCHEMBL1154107 0.83 ALDH1A1 (0.42) HSD11B1ALDH1A1HDAC4OPRM1SIGMAR1
SCHEMBL1153086 0.83 MAPT (0.39) ALDH1A1HSD17B10MMP1LMNA

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 HSD11B1 1988/4885ALDH1A1 610/4885HDAC4 1906/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 HSD11B1 1988/4885ALDH1A1 610/4885HDAC4 1906/4885

“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.