SCHEMBL20330375

SCHEMBL20330375

COCCOCCCCCOCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 2/20 0.39
CA2 P00918 1/20 0.39
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.34
ABCB11 O95342 1/20 0.34
ADRA2B P18089 1/20 0.34
OPRD1 P41143 1/20 0.34
SCN5A Q14524 1/20 0.34
PLA2G2A P14555 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 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
SCHEMBL22266504 0.96 CES2 (0.47) CES2ALDH1A1MEN1THRBHTT
SCHEMBL20323910 0.94 CES2 (0.39) CES2ALDH1A1MEN1THRBHTT
SCHEMBL27365601 0.94 CES2 (0.39) CES2ALDH1A1MEN1THRBHTT
SCHEMBL21664619 0.92 CES2 (0.50) CES2ALDH1A1MEN1THRBHTT
SCHEMBL20322405 0.92 CES2 (0.50) CES2ALDH1A1MEN1THRBHTT
SCHEMBL1327135 0.92 CA2 (0.39) CES2ALDH1A1EPHX2CA2CYP3A4
SCHEMBL3238976 0.92 CA2 (0.39) CES2ALDH1A1EPHX2CA2CYP3A4
SCHEMBL20231745 0.92 CA2 (0.39) CES2ALDH1A1EPHX2CA2CYP3A4
SCHEMBL5032172 0.92 CA2 (0.39) CES2ALDH1A1EPHX2CA2CYP3A4
SCHEMBL20323861 0.92 CA2 (0.39) CES2ALDH1A1EPHX2CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE ARVINAS OPERATIONS, INC. 2018-06-28 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 (1 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-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL CES2 3156/4885ALDH1A1 3688/4885MEN1 1376/4885

“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.