SCHEMBL20046942

SCHEMBL20046942

CSC(=O)CCCCOCCCNC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
ADRB2 P07550 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 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
SCHEMBL20330475 0.87 GAA (0.32) MEN1KMT2AGAA
SCHEMBL22794331 0.84 MAPK1 (0.37) KDM4EALDH1A1HRH3MEN1KMT2A
SCHEMBL26224162 0.84 MAPK1 (0.37) KDM4EALDH1A1HRH3MEN1KMT2A
SCHEMBL25479251 0.84 MAPK1 (0.37) KDM4EALDH1A1HRH3MEN1KMT2A
SCHEMBL24513936 0.84 KDM4E (0.33) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL20330477 0.83 KDM4E (0.36) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL24654362 0.83 KDM4E (0.38) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL18592280 0.81 KDM4E (0.37) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL21664661 0.80 HRH3 (0.37) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL21026059 0.80 KDM4E (0.39) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19

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 KDM4E 713/4885ALDH1A1 824/4885CYP1A2 2175/4885

“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.