SCHEMBL20046458

SCHEMBL20046458

COCc1cc(C)n(C(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.33
ESR2 Q92731 1/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
SMPD3 Q9NY59 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
SCHEMBL24192474 0.86 FAAH (0.40) FAAHALDH1A1HSD17B10TSHRMEN1
SCHEMBL14632793 0.79 TSHR (0.50) KDM4EALDH1A1HSD17B10TSHRMEN1
SCHEMBL19020743 0.78 FAAH (0.38) FAAHALDH1A1HSD17B10TSHRMEN1
SCHEMBL2961171 0.78 FAAH (0.40) FAAHALDH1A1TSHRMEN1CYP1A2
SCHEMBL161429 0.76 FAAH (0.39) FAAHALDH1A1TSHRMEN1CYP1A2
SCHEMBL13024386 0.76 FAAH (0.39) FAAHALDH1A1TSHRMEN1CYP1A2
SCHEMBL5400751 0.76 FAAH (0.39) FAAHKDM4EALDH1A1TSHRMEN1
SCHEMBL939622 0.76 FAAH (0.39) FAAHKDM4EALDH1A1TSHRMEN1
SCHEMBL22692279 0.76 KDM4E (0.39) FAAHKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23649120 0.74 FAAH (0.37) FAAHKDM4EALDH1A1HSD17B10TSHR

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 FAAH 2573/4885KDM4E 713/4885ALDH1A1 824/4885

“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.