SCHEMBL4139960

SCHEMBL4139960

CN(C)CCO[C@@H]1COc2ccccc2-c2c([C@H]3CCCC[C@@H]3F)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.61
MMP12 P39900 1/20 0.61
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
NR1I2 O75469 1/20 0.30
PDE5A O76074 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
SCHEMBL4139962 1.00 PRKCA (0.61) PRKCAMMP12ACACBACACANR1I2
SCHEMBL4146448 1.00 PRKCA (0.61) PRKCAMMP12ACACBACACANR1I2
SCHEMBL4146452 1.00 PRKCA (0.61) PRKCAMMP12ACACBACACANR1I2
Trifluoroacetic Acid SCHEMBL3092631 0.87 PRKCA (0.72) PRKCAMMP12ACACBACACANR1I2
Trifluoroacetic Acid SCHEMBL3093777 0.87 PRKCA (0.72) PRKCAMMP12ACACBACACANR1I2
SCHEMBL4153228 0.85 PRKCA (0.64) PRKCAMMP12NR1I2PDE5A
SCHEMBL14110744 0.82 PRKCA (0.67) PRKCAMMP12NR1I2
SCHEMBL4152593 0.81 PRKCA (0.55) PRKCAMMP12NR1I2PDE5A
Hydrochloric Acid SCHEMBL394699 0.81 PRKCA (0.66) PRKCAMMP12NR1I2
SCHEMBL14110783 0.79 PRKCA (0.65) PRKCAMMP12NR1I2

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 PRKCA 4320/4885MMP12 3563/4885ACACB 1880/4885

“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.