SCHEMBL3084839

SCHEMBL3084839

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CNCC(=O)OC(C)(C)C)n(CC(OC)OC)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.35
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 3/20 0.32
CNR2 P34972 1/20 0.32
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP2C9 P11712 2/20 0.31
DPP4 P27487 1/20 0.31
NR1I2 O75469 1/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3096329 0.85 PRKCA (0.42) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL3084086 0.82 PRKCA (0.41) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL3085396 0.81 PRKCA (0.40) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL3589660 0.79 PRKCA (0.39) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL3083763 0.79 NR1I2 (0.37) NPSR1ALDH1A1ATMSMN1; SMN2SCN9A
SCHEMBL3095427 0.78 PRKCA (0.38) PTPRCPRKCAMMP12HDAC1HDAC8
SCHEMBL4825604 0.78 PRKCA (0.38) PTPRCPRKCAMMP12HDAC1HDAC8
SCHEMBL3599670 0.77 PRKCA (0.36) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL772324 0.76 CNR2 (0.42) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL923678 0.76 PRKCA (0.36) PRKCAMMP12HDAC1HDAC8HDAC6

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PTPRC 976/4885PRKCA 3874/4885MMP12 3319/4885

“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.