SCHEMBL4874811

SCHEMBL4874811

COc1cccc(-c2ccc(-c3c(C4CCCCC4)c4sc(C(=O)O)cc4n3CC(=O)N3CCNCC3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
KDM1A O60341 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TP53 P04637 1/20 0.35
PAX8 Q06710 2/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
NSD2 O96028 1/20 0.35
NSD1 Q96L73 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
HPSE Q9Y251 1/20 0.35
TNKS O95271 1/20 0.35

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
SCHEMBL4873028 0.89 PIK3CA (0.37) POLBALDH1A1TSHRTP53HTT
SCHEMBL4874823 0.87 MAPT (0.39) POLBALDH1A1TSHRGRIN1GRIN2B
Hydrochloric Acid SCHEMBL427755 0.83 PTGS2 (0.44) ALDH1A1TSHRGRIN1GRIN2BKDM1A
SCHEMBL424159 0.83 GRIN1 (0.46) POLBALDH1A1GRIN1GRIN2BTP53
SCHEMBL4874037 0.82 POLB (0.40) POLBALDH1A1TSHRTP53HTT
SCHEMBL423822 0.82 ACHE (0.41) ALDH1A1TSHRGRIN1GRIN2BHTT
SCHEMBL421689 0.82 GRIN1 (0.38) ALDH1A1GRIN1GRIN2B
SCHEMBL4877302 0.81 PIK3CA (0.39) POLBALDH1A1TSHRTP53HTT
SCHEMBL2996782 0.81 ALDH1A1 (0.39) ALDH1A1TP53HTTHIF1A
SCHEMBL13211484 0.81 EGFR (0.43) POLBALDH1A1TSHRGRIN1GRIN2B

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 327/4885ALDH1A1 1357/4885TSHR 4492/4885

“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.