SCHEMBL3597762

SCHEMBL3597762

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3C=O)n(CC(N)C(=O)OC)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
CNR2 P34972 2/20 0.38
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCN9A Q15858 5/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR1I2 O75469 2/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL3085396 0.89 PRKCA (0.40) PRKCAMMP12CNR2ALDH1A1NPSR1
SCHEMBL3589949 0.85 PRKCA (0.40) PRKCAMMP12CNR2ALDH1A1NPSR1
SCHEMBL3599670 0.84 PRKCA (0.36) PRKCAMMP12CNR2ALDH1A1NPSR1
SCHEMBL4209432 0.84 PRKCA (0.41) PRKCAMMP12CNR2ALDH1A1NPSR1
SCHEMBL3596365 0.84 PRKCA (0.40) PRKCAMMP12CNR2ALDH1A1NPSR1
SCHEMBL3088640 0.84 PRKCA (0.40) PRKCAMMP12CNR2ALDH1A1NPSR1
SCHEMBL14253780 0.83 ALDH1A1 (0.39) PRKCAMMP12CNR2ALDH1A1NPSR1
SCHEMBL3095427 0.82 PRKCA (0.38) PRKCAMMP12CNR2ALDH1A1NPSR1
SCHEMBL3589660 0.82 PRKCA (0.39) PRKCAMMP12CNR2ALDH1A1NPSR1
SCHEMBL772007 0.80 CNR2 (0.40) PRKCAMMP12CNR2HDAC1HDAC8

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 4 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
EP-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP disclosed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 WO 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 3050/4885CNR2 127/4885

“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.