SCHEMBL4920282

SCHEMBL4920282

COc1ccc2c(c1)CC(OCCN1CCCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
KCNH2 Q12809 7/20 0.42
NR1I2 O75469 5/20 0.42
CYP3A4 P08684 3/20 0.41
SCN5A Q14524 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESR1 P03372 4/20 0.38
ESR2 Q92731 3/20 0.37
SCN9A Q15858 1/20 0.37
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL3567161 0.88 PRKCA (0.49) PRKCAMMP12NR1I2ESR1ESR2
SCHEMBL4912399 0.84 KCNH2 (0.45) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL3569335 0.83 PRKCA (0.40) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL3943346 0.82 PRKCA (0.46) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL3080110 0.82 PRKCA (0.45) PRKCAMMP12NR1I2ESR1ESR2
SCHEMBL895603 0.79 KCNH2 (0.47) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL12427623 0.79 PRKCA (0.43) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL3593846 0.79 KCNH2 (0.45) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL13936830 0.78 ALDH1A1 (0.44) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL3250792 0.78 PRKCA (0.52) PRKCAMMP12KCNH2NR1I2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-23 US claimed

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-20080261938-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, HAVCR2 PRKCA 4232/4885MMP12 2495/4885KCNH2 1648/4885

“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.