SCHEMBL3583062

SCHEMBL3583062

C=CCn1c(-c2ccccc2C=C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
CNR2 P34972 2/20 0.40
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
SCN9A Q15858 3/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 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
SCHEMBL3589949 0.94 PRKCA (0.40) PRKCAMMP12CNR2PTGER4KDM4E
SCHEMBL3091875 0.91 PRKCA (0.40) PRKCAMMP12CNR2KDM4EHPGD
SCHEMBL27713477 0.91 PRKCA (0.40) PRKCAMMP12CNR2KDM4EHPGD
SCHEMBL3589660 0.89 PRKCA (0.39) PRKCAMMP12CNR2KDM4EHPGD
SCHEMBL3596844 0.89 PRKCA (0.39) PRKCAMMP12CNR2KDM4EHPGD
SCHEMBL3362749 0.89 PRKCA (0.39) PRKCAMMP12CNR2PTGER4KDM4E
SCHEMBL3584923 0.89 PTGER4 (0.40) PRKCAMMP12CNR2PTGER4KDM4E
SCHEMBL4821691 0.88 CNR2 (0.41) PRKCAMMP12CNR2KDM4EHPGD
SCHEMBL4821680 0.88 CNR2 (0.40) PRKCAMMP12CNR2PTGER4KDM4E
SCHEMBL13939958 0.88 CNR2 (0.40) PRKCAMMP12CNR2PTGER4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662809-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-02-16 US disclosed
US-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-23 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
EP-1807397-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006046039-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 WO disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 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 (3 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-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, HAVCR2 PRKCA 4232/4885MMP12 2495/4885CNR2 388/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885CNR2 1457/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885CNR2 1457/4885

“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.