SCHEMBL1153059

SCHEMBL1153059

COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](C)NC(=O)C2(C(=O)N[C@H](C)C(O)(c3ccc(OC)cc3)c3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP17A1 P05093 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL1153237 0.95 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL1153280 0.95 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL1152975 0.93 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL1153733 0.86 PLK1 (0.39) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL1153709 0.84 ANPEP (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL1153715 0.84 HPGD (0.36) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL1152376 0.84 MAPT (0.40) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL1153961 0.82 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL4338684 0.82 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL1153824 0.82 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2AMAPT

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 610/4885TSHR 2791/4885MEN1 3372/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ALDH1A1 610/4885TSHR 2791/4885MEN1 3372/4885

“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.