SCHEMBL20046786

SCHEMBL20046786

NC(=O)C(CCC=O)N1C(=O)c2cccc(F)c2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ALPL P05186 1/20 0.34
MAPT P10636 1/20 0.33
TRPA1 O75762 2/20 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
SCHEMBL21308302 0.88 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL17884698 0.86 ALDH1A1 (0.45) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL25816955 0.85 MAPT (0.39) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL21308307 0.84 ALDH1A1 (0.43) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL21349847 0.84 ALDH1A1 (0.60) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL24326937 0.83 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL21136309 0.82 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL21308118 0.82 TNF (0.44) ALDH1A1POLBL3MBTL1KDM4EHSD17B10
SCHEMBL17884672 0.81 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1KDM4ETP53
SCHEMBL12811074 0.81 ALDH1A1 (0.40) ALDH1A1POLBL3MBTL1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020200291-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2020-10-08 WO disclosed
WO-2020156017-A1 TARGETED UBIQUITINATION DEGRADATION BRD4 PROTEIN COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 石药集团中奇制药技术(石家庄)有限公司 2020-08-06 WO disclosed
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 ALDH1A1 824/4885POLB 3165/4885L3MBTL1 2900/4885

“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.