SCHEMBL4873748

SCHEMBL4873748

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCCC4)ccc3n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
DHODH Q02127 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
BRD4 O60885 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4872088 0.96 KMT2A (0.36) KMT2AALDH1A1HPGDMAPK1POLB
SCHEMBL4874739 0.95 KMT2A (0.36) KMT2AALDH1A1HPGDMAPK1POLB
SCHEMBL4872438 0.95 TSHR (0.37) KMT2AALDH1A1HPGDMAPK1POLB
SCHEMBL4874058 0.92 ALDH1A1 (0.41) KMT2AALDH1A1HPGDMAPK1POLB
SCHEMBL4879087 0.91 PTGS2 (0.37) KMT2AALDH1A1HPGDMAPK1POLB
SCHEMBL4874037 0.90 POLB (0.40) KMT2AALDH1A1HPGDMAPK1POLB
SCHEMBL4868463 0.90 KMT2A (0.39) KMT2AALDH1A1HPGDMAPK1POLB
SCHEMBL4868456 0.89 ALDH1A1 (0.39) KMT2AALDH1A1HPGDMAPK1POLB
SCHEMBL4866862 0.88 KMT2A (0.36) KMT2AALDH1A1HPGDMAPK1POLB
SCHEMBL4877300 0.88 GRIN2B (0.41) KMT2AALDH1A1HPGDGAATP53

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 KMT2A 4254/4885ALDH1A1 1357/4885HPGD 2973/4885

“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.