SCHEMBL26030801

SCHEMBL26030801

CCOC(C)CNCCC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
EPHX2 P34913 1/20 0.34
MLYCD O95822 1/20 0.33
APLNR P35414 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CTSK P43235 3/20 0.31
CA7 P43166 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 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
SCHEMBL2171498 0.86 EPHX2 (0.35) CYP2D6EPHX2MLYCDAPLNRCA1
SCHEMBL9098228 0.82 CA7 (0.41) CYP2D6EPHX2MLYCDAPLNRCA1
SCHEMBL22880791 0.79 CYP2D6 (0.36) CYP2D6EPHX2MLYCDAPLNRCA1
SCHEMBL3485766 0.77 EPHX2 (0.40) CYP2D6EPHX2MLYCDAPLNRCA1
SCHEMBL26030784 0.77 LMNA (0.33) CA12CA14CA7
SCHEMBL22881073 0.76 CYP2D6 (0.35) CYP2D6EPHX2MLYCDAPLNRCA1
SCHEMBL948270 0.76 EPHX2 (0.37) CYP2D6EPHX2MLYCDAPLNRCA1
SCHEMBL23225912 0.75 MAOA (0.41) CA1CA2CA12CTSKCA7
SCHEMBL948359 0.74 PAOX (0.38) CYP2D6EPHX2MLYCDCA1CA2
SCHEMBL18508164 0.73 MEN1 (0.44) CYP2D6APLNRCA1CA2CTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374034-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-11-23 US disclosed
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-08-24 US 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-20230374034-A1 NOVEL BICYCLIC COMPOUNDS NOTCH1, NOTCH2, HES1 CYP2D6 3944/4885EPHX2 2625/4885MLYCD 1072/4885
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS MKI67, CCNI, KRAS CYP2D6 1641/4885EPHX2 4028/4885MLYCD 2871/4885

“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.