SCHEMBL4921753

SCHEMBL4921753

CCCC[Sn](CCCC)(CCCC)c1cc(C#N)cnc1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 4/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
PTGER4 P35408 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL2656747 0.75 CCR4 (0.33)
SCHEMBL2656822 0.72 AR (0.40) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL2657423 0.72 TLR8 (0.32) KDM4E
SCHEMBL22045089 0.71 HPGDS (0.45) HPGDSKDM4EALDH1A1HTTL3MBTL1
SCHEMBL31314246 0.69 GRM5 (0.37) HPGDSKDM4EALDH1A1HPGDHTT
SCHEMBL14120504 0.69 APLNR (0.37) KDM4EALDH1A1HPGDGRM5
SCHEMBL2429966 0.69 KDM4E (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL29434547 0.69 KDM4E (0.46) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL7971066 0.69 RAF1 (0.33) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL2470931 0.69 HPGDS (0.46) HPGDSKDM4EALDH1A1HTTL3MBTL1

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-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF HPGDS 4632/4885KDM4E 2357/4885ALDH1A1 442/4885

“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.