SCHEMBL4868339

SCHEMBL4868339

COc1cc(OC)cc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCSCC4)ccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.33
TP53 P04637 2/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
UBE2M P61081 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
SCHEMBL4879087 0.95 PTGS2 (0.37) PTGS2TP53KMT2AALDH1A1GAA
SCHEMBL4877570 0.92 PTGS2 (0.32) PTGS2TP53KMT2AALDH1A1GAA
SCHEMBL4874739 0.91 KMT2A (0.36) TP53KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL4868463 0.90 KMT2A (0.39) PTGS2TP53KMT2AALDH1A1GAA
SCHEMBL4874058 0.90 ALDH1A1 (0.41) PTGS2TP53KMT2AALDH1A1GAA
SCHEMBL4874037 0.89 POLB (0.40) TP53KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL4866862 0.88 KMT2A (0.36) PTGS2TP53KMT2AALDH1A1GRIN1
SCHEMBL4877302 0.88 PIK3CA (0.39) TP53ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4873028 0.87 PIK3CA (0.37) TP53ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4868356 0.87 MAPT (0.35) TP53KMT2AALDH1A1SMN1; SMN2KDM4E

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
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PTGS2 2888/4885TP53 3049/4885KMT2A 4254/4885

“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.