SCHEMBL3593873

SCHEMBL3593873

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CO)n(Cc3nc(Cc4ccccc4)c[nH]3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
S1PR3 Q99500 2/20 0.34
DPP4 P27487 1/20 0.34
CFTR P13569 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NR1I2 O75469 1/20 0.33
TPH1 P17752 1/20 0.33
TPH2 Q8IWU9 1/20 0.33
PPM1D O15297 1/20 0.33
SCN9A Q15858 1/20 0.33
IDH1 O75874 1/20 0.32
TLR7 Q9NYK1 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
SCHEMBL3586254 0.84 PRKCA (0.37) CNR2PRKCAMMP12DPP4HDAC1
SCHEMBL3593870 0.80 CNR2 (0.42) CNR2PRKCAMMP12S1PR3DPP4
SCHEMBL3584923 0.80 PTGER4 (0.40) CNR2PRKCAMMP12HDAC1HDAC8
SCHEMBL3586034 0.78 PRKCA (0.38) CNR2PRKCAMMP12DPP4HDAC1
SCHEMBL772324 0.74 CNR2 (0.42) CNR2PRKCAMMP12DPP4HDAC1
SCHEMBL14253889 0.74 HDAC1 (0.39) CNR2PRKCAMMP12HDAC1HDAC8
Tetrabuthylammonium SCHEMBL4563404 0.73 PTGER4 (0.36) CNR2PRKCAMMP12HDAC1HDAC8
SCHEMBL4206783 0.73 PRKCA (0.40) CNR2PRKCAMMP12DPP4HDAC1
SCHEMBL3585949 0.72 PRKCA (0.37) CNR2PRKCAMMP12DPP4HDAC1
SCHEMBL3092482 0.71 PRKCA (0.40) CNR2PRKCAMMP12DPP4HDAC1

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 CNR2 127/4885PRKCA 2745/4885MMP12 3050/4885

“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.