SCHEMBL3590641

SCHEMBL3590641

CN1CC[C@H]2Cn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(O)cc3[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
NR1I2 O75469 9/20 0.40
SCN9A Q15858 3/20 0.39
KCNH2 Q12809 6/20 0.39
CYP3A4 P08684 2/20 0.38
SCN5A Q14524 2/20 0.38

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
SCHEMBL11948199 1.00 PRKCA (0.46) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3598609 0.91 KCNH2 (0.42) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL11948215 0.89 PRKCA (0.53) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3596000 0.89 PRKCA (0.53) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3594290 0.89 PRKCA (0.53) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL11948210 0.89 PRKCA (0.53) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3587774 0.89 KCNH2 (0.49) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL11948198 0.89 KCNH2 (0.49) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3593906 0.82 PRKCA (0.41) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL11948200 0.82 PRKCA (0.41) PRKCAMMP12NR1I2KCNH2CYP3A4

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-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 PRKCA 2745/4885MMP12 3050/4885NR1I2 79/4885

“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.