SCHEMBL3584923

SCHEMBL3584923

C=CCn1c(-c2ccccc2CO)c(C2CCCCC2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
CNR2 P34972 2/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
SCN9A Q15858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
Tetrabuthylammonium SCHEMBL4563404 0.92 PTGER4 (0.36) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL2279301 0.89 KCNH2 (0.40) CNR2HPGDMAPTSCN9ASMN1; SMN2
SCHEMBL3583062 0.89 PRKCA (0.41) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL3589949 0.88 PRKCA (0.40) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL3585949 0.87 PRKCA (0.37) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL3586034 0.86 PRKCA (0.38) PRKCAMMP12CNR2KDM4EHPGD
SCHEMBL4829898 0.84 SCN9A (0.38) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL4825640 0.82 KDM4E (0.40) PTGER4PRKCAMMP12CNR2KDM4E
SCHEMBL3808470 0.81 KCNH2 (0.38) CNR2HPGDMAPTSCN9ACYP3A4
SCHEMBL772324 0.81 CNR2 (0.42) PRKCAMMP12CNR2HDAC1HDAC8

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 PTGER4 619/4885PRKCA 2745/4885MMP12 3050/4885

“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.