SCHEMBL4874037

SCHEMBL4874037

COc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCCC4)ccc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TP53 P04637 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 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
SCHEMBL4877302 0.96 PIK3CA (0.39) POLBTP53TDP1PIK3CAMTOR
SCHEMBL4877158 0.95 PIK3CA (0.40) POLBTP53PIK3CAMTORGAA
SCHEMBL4873028 0.95 PIK3CA (0.37) POLBTP53TDP1PIK3CAMTOR
SCHEMBL4879087 0.94 PTGS2 (0.37) POLBTP53TDP1ALDH1A1KMT2A
SCHEMBL4874058 0.93 ALDH1A1 (0.41) POLBTP53TDP1PIK3CAMTOR
SCHEMBL4868463 0.92 KMT2A (0.39) POLBTP53TDP1PIK3CAMTOR
SCHEMBL4878172 0.91 PIK3CA (0.39) PIK3CAMTORALDH1A1MAPTMAPK1
SCHEMBL4877300 0.91 GRIN2B (0.41) TP53ALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL4873748 0.90 KMT2A (0.41) POLBTP53ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4866862 0.90 KMT2A (0.36) POLBTP53TDP1PIK3CAMTOR

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 POLB 327/4885TP53 3049/4885TDP1 1009/4885

“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.