SCHEMBL4868356

SCHEMBL4868356

COc1cc(OC)cc(-c2ccc3cc(-c4c(-c5ccccc5)c5sc(C(=O)O)cc5n4CC(=O)N4CCSCC4)ccc3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TRPV4 Q9HBA0 7/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 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
SCHEMBL4879108 0.94 ALDH1A1 (0.41) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL4877559 0.91 TRPV4 (0.35) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL4874753 0.91 KDM4E (0.40) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL4868467 0.89 KDM4E (0.44) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL4874047 0.88 TP53 (0.44) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL4874071 0.88 ALDH1A1 (0.46) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL4873044 0.87 PIK3CA (0.38) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL4877312 0.87 PIK3CA (0.43) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL4876271 0.87 HPGD (0.31) MAPTALDH1A1HPGDKMT2ARAB9A
SCHEMBL4868339 0.87 PTGS2 (0.33) MAPTTP53KDM4EALDH1A1HPGD

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 MAPT 4372/4885TP53 3049/4885KDM4E 3075/4885

“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.