SCHEMBL3585949

SCHEMBL3585949

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
PTGER4 P35408 1/20 0.36
NR1I2 O75469 1/20 0.35
SCN9A Q15858 2/20 0.34
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HPGD P15428 1/20 0.34
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.33
RXRA P19793 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
SCHEMBL2275261 0.90 KCNH2 (0.39) NR1I2SCN9ACNR2MAPTHPGD
SCHEMBL3808470 0.88 KCNH2 (0.38) NR1I2SCN9ACNR2MAPTHPGD
SCHEMBL3590122 0.88 PRKCA (0.37) PRKCAMMP12NR1I2SCN9ACNR2
SCHEMBL3584923 0.87 PTGER4 (0.40) PRKCAMMP12PTGER4NR1I2SCN9A
SCHEMBL3583062 0.83 PRKCA (0.41) PRKCAMMP12PTGER4NR1I2SCN9A
SCHEMBL3589949 0.82 PRKCA (0.40) PRKCAMMP12PTGER4NR1I2SCN9A
SCHEMBL4829898 0.80 SCN9A (0.38) PRKCAMMP12PTGER4SCN9ACNR2
Tetrabuthylammonium SCHEMBL4563404 0.80 PTGER4 (0.36) PRKCAMMP12PTGER4NR1I2SCN9A
SCHEMBL2279301 0.79 KCNH2 (0.40) NR1I2SCN9ACNR2SMN1; SMN2MAPT
SCHEMBL3582552 0.79 KCNH2 (0.39) NR1I2SCN9ACNR2KCNH2

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 3050/4885PTGER4 619/4885

“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.