SCHEMBL3590122

SCHEMBL3590122

C#CCn1c(-c2ccccc2CO[Si](C(C)C)(C(C)C)C(C)C)c(C2CCCCC2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
DPP4 P27487 2/20 0.35
NR1I2 O75469 1/20 0.35
SCN9A Q15858 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.33
KCNH2 Q12809 1/20 0.33
RXRA P19793 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3582552 0.90 KCNH2 (0.39) NR1I2SCN9ACNR2KCNH2CYP3A4
SCHEMBL3585949 0.88 PRKCA (0.37) PRKCAMMP12DPP4NR1I2SCN9A
SCHEMBL3586034 0.87 PRKCA (0.38) PRKCAMMP12DPP4NR1I2SCN9A
SCHEMBL3596365 0.82 PRKCA (0.40) PRKCAMMP12NR1I2SCN9AHDAC1
SCHEMBL3596844 0.81 PRKCA (0.39) PRKCAMMP12NR1I2SCN9AHDAC1
SCHEMBL3586074 0.79 KCNH2 (0.40) NR1I2SCN9AALDH1A1CNR2KCNH2
SCHEMBL2275261 0.79 KCNH2 (0.39) NR1I2SCN9ATSHRHTTCNR2
SCHEMBL3580781 0.77 PARP1 (0.43) ALDH1A1HTTSMN1; SMN2KDM4EHPGD
SCHEMBL3808470 0.76 KCNH2 (0.38) NR1I2SCN9ATSHRHTTCNR2
SCHEMBL3579460 0.75 KCNH2 (0.39) NR1I2SCN9AALDH1A1CNR2KCNH2

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 3050/4885DPP4 989/4885

“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.