SCHEMBL4877781

SCHEMBL4877781

COc1ccc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(N5CCOCC5)CC4)ccc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
CBX7 O95931 2/20 0.39
CDYL2 Q8N8U2 2/20 0.39
CDYL Q9Y232 2/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
POLB P06746 1/20 0.38
PTGS2 P35354 2/20 0.37
GAA P10253 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4878179 0.95 PIK3CA (0.42) ACHEL3MBTL1PIK3CAMTORCBX7
SCHEMBL4870899 0.92 ACHE (0.40) ACHEL3MBTL1PIK3CAMTORCBX7
SCHEMBL4866875 0.90 ALDH1A1 (0.39) L3MBTL1PIK3CAMTORALDH1A1KDM4E
SCHEMBL4877773 0.89 CBX7 (0.38) ACHEL3MBTL1PIK3CAMTORCBX7
SCHEMBL4877137 0.89 CBX7 (0.39) ACHEPIK3CAMTORCBX7CDYL2
SCHEMBL4873226 0.89 CBX7 (0.39) ACHEPIK3CAMTORCBX7CDYL2
SCHEMBL4877171 0.89 PIK3CA (0.43) ACHEPIK3CAMTORCBX7CDYL2
SCHEMBL4868467 0.88 KDM4E (0.44) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4874715 0.88 BRD4 (0.38) ACHEPIK3CAMTORCBX7CDYL2
SCHEMBL4874071 0.88 ALDH1A1 (0.46) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10

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-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 ACHE 2191/4885L3MBTL1 3239/4885PIK3CA 1299/4885

“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.