SCHEMBL20046027

SCHEMBL20046027

COC(=O)c1ccc(CCN2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SETD7 Q8WTS6 1/20 0.42
CYP4A11 Q02928 2/20 0.42
GPR119 Q8TDV5 5/20 0.42
CYP4F2 P78329 1/20 0.41
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH1 P35367 1/20 0.39
NAMPT P43490 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NR1H2 P55055 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL20046352 0.88 HRH3 (0.46) SETD7GPR119PKMNAMPTUSP30
SCHEMBL17086710 0.88 HDAC1 (0.53) HDAC1HDAC6SETD7GPR119LMNA
SCHEMBL20046028 0.88 HRH3 (0.46) SETD7GPR119PKMNAMPTUSP30
SCHEMBL20046024 0.86 GPR119 (0.46) SETD7GPR119NAMPTNR1H2HRH3
SCHEMBL22692235 0.82 HDAC1 (0.46) HDAC1HDAC6SETD7GPR119PKM
SCHEMBL20046750 0.81 KCNJ1 (0.40) SETD7GPR119MAPT
SCHEMBL20046215 0.81 CYP4A11 (0.49) HDAC1HDAC6CYP4A11GPR119CYP4F2
SCHEMBL28346940 0.81 HDAC1 (0.54) HDAC1HDAC6SETD7GPR119LMNA
SCHEMBL20333301 0.81 HDAC1 (0.54) HDAC1HDAC6SETD7GPR119LMNA
SCHEMBL28400351 0.80 HDAC1 (0.51) HDAC1HDAC6PKMLMNAMAPT

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-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2018-04-12 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-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN HDAC1 1306/4885HDAC6 1547/4885SETD7 3179/4885

“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.