SCHEMBL4874831

SCHEMBL4874831

COc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCOC(CN(C)C)C4)ccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN9A Q15858 1/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
SLC8A1 P32418 1/20 0.34
AVPR1B P47901 2/20 0.34
SMO Q99835 1/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4874848 0.91 ALDH1A1 (0.37) ALDH1A1TSHRSCN9APIK3CAMTOR
SCHEMBL4877302 0.89 PIK3CA (0.39) ALDH1A1TSHRPIK3CAMTORAVPR1B
SCHEMBL4874037 0.89 POLB (0.40) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4877332 0.87 SCN9A (0.35) NPC1RAB9ASCN9ASLC8A1SMO
SCHEMBL4877357 0.87 KCNH2 (0.34) SCN9ASLC8A1
SCHEMBL4878172 0.87 PIK3CA (0.39) ALDH1A1PIK3CAMTORSMOUBE2M
SCHEMBL4877158 0.86 PIK3CA (0.40) TSHRPIK3CAMTORUBE2MDCUN1D1
SCHEMBL4873028 0.86 PIK3CA (0.37) ALDH1A1TSHRPIK3CAMTORUBE2M
SCHEMBL4866924 0.86 KCNH2 (0.34) SCN9ASLC8A1
SCHEMBL4866857 0.86 KCNH2 (0.34) SCN9ASLC8A1

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 ALDH1A1 1357/4885TSHR 4492/4885NPC1 679/4885

“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.