SCHEMBL3078280

SCHEMBL3078280

CC(C)(C)n1cc(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.48
SCN5A Q14524 3/20 0.48
KMO O15229 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HCAR3 P49019 3/20 0.38
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HRH2 P25021 2/20 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
SCHEMBL900323 0.82 SCN9A (0.64) SCN9ASCN5AKMOHRH2
SCHEMBL27861253 0.81 SCN9A (0.48) SCN9ASCN5AKMOL3MBTL1HSD17B10
SCHEMBL4822409 0.73 SCN9A (0.44) SCN9ASCN5AKMOHRH2
SCHEMBL6367996 0.71 SCN9A (0.64) SCN9ASCN5A
SCHEMBL1260945 0.70 SCN9A (0.65) SCN9ASCN5A
SCHEMBL4951622 0.69 KMO (0.57) KMOL3MBTL1HSD17B10GAA
SCHEMBL18304697 0.69 KMO (0.53) KMOL3MBTL1HSD17B10GAA
SCHEMBL196105 0.69 SCN9A (0.50) SCN9ASCN5A
SCHEMBL2276096 0.68 SCN9A (0.44) SCN9ASCN5AKMOL3MBTL1HSD17B10
SCHEMBL5508333 0.68 SCN9A (0.42) SCN9ASCN5AKMOL3MBTL1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795250-B2 Indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20080261944-A1 Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2008-10-23 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-20080261944-A1 Indole Derivatives as Antiviral Agents IDO1, IDO2, IRF3 SCN9A 4172/4885SCN5A 4351/4885KMO 441/4885

“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.