SCHEMBL1153485

SCHEMBL1153485

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HDAC4 P56524 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CETP P11597 2/20 0.35
KCNA5 P22460 1/20 0.35
HSD11B1 P28845 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
AKR1C1 Q04828 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP1 P03956 1/20 0.34
MME P08473 1/20 0.34
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL1154104 0.99 ALDH1A1 (0.41) ALDH1A1HDAC4CYP2D6CYP1A2CETP
SCHEMBL1152859 0.96 ALDH1A1 (0.41) ALDH1A1CYP2D6CYP1A2KCNA5PSEN1
SCHEMBL1153795 0.93 ALDH1A1 (0.40) ALDH1A1HDAC4CYP2D6CYP1A2KCNA5
SCHEMBL1153231 0.88 MEN1 (0.34) ALDH1A1CYP1A2PSEN1PSEN2APH1B
SCHEMBL1153385 0.86 KEAP1 (0.34) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1154107 0.86 ALDH1A1 (0.42) ALDH1A1HDAC4CYP2D6CYP1A2CETP
SCHEMBL1152917 0.85 ALDH1A1 (0.39) ALDH1A1CYP1A2MMP1FAAHTRPV1
SCHEMBL1152637 0.85 ALDH1A1 (0.43) ALDH1A1HDAC4CYP2D6CYP1A2CETP
SCHEMBL1153300 0.84 HSD11B1 (0.38) ALDH1A1HDAC4CYP2D6CETPHSD11B1
SCHEMBL1153128 0.84 CASP1 (0.35) ALDH1A1CYP2D6CYP1A2PSEN1PSEN2

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 ALDH1A1 610/4885HDAC4 1906/4885CYP2D6 60/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ALDH1A1 610/4885HDAC4 1906/4885CYP2D6 60/4885

“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.