SCHEMBL3593841

SCHEMBL3593841

C#CCn1c(-c2ccc(OC)cc2C=O)c(C2CCCCC2)c2c(C)cc(C(=O)O)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
VDR P11473 2/20 0.32
NR1H4 Q96RI1 2/20 0.32
CNR2 P34972 4/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.32
KCNH2 Q12809 1/20 0.31
PLA2G2A P14555 1/20 0.31
NR1I2 O75469 1/20 0.31
MAOB P27338 2/20 0.30
KDM4E B2RXH2 1/20 0.30
BRD4 O60885 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL3598982 0.88 PRKCA (0.37)
SCHEMBL3589881 0.83 VDR (0.33) PTGDR2VDRNR1H4KCNH2NR1I2
SCHEMBL3579460 0.82 KCNH2 (0.39) CNR2CNR1KCNH2NR1I2
SCHEMBL4565078 0.72 PRKCA (0.31)
SCHEMBL3139951 0.72 KCNH2 (0.40) PTGDR2CNR2POLBMAPTKCNH2
SCHEMBL3596365 0.70 PRKCA (0.40) CNR2NR1I2KDM4E
SCHEMBL3087212 0.69 PRKCA (0.33) CNR2POLBMAPTKDM4E
SCHEMBL3586074 0.69 KCNH2 (0.40) CNR2CNR1KCNH2NR1I2
SCHEMBL2277343 0.69 KCNH2 (0.40) CNR2POLBMAPTKCNH2NR1I2
SCHEMBL3088667 0.69 KCNH2 (0.39) CNR2CNR1KCNH2PLA2G2ANR1I2

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 PTGDR2 303/4885VDR 474/4885NR1H4 176/4885

“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.