SCHEMBL393140

SCHEMBL393140

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@H](OCCN(C)Cc1ccccc1)COc1ccccc1-3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.58
MMP12 P39900 1/20 0.58
NR1I2 O75469 5/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR2 P34972 1/20 0.34
KCNH2 Q12809 3/20 0.33
SCN5A Q14524 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
LTA4H P09960 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
SCHEMBL14110744 0.94 PRKCA (0.67) PRKCAMMP12NR1I2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL394699 0.93 PRKCA (0.66) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393067 0.88 PRKCA (0.52) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2276864 0.86 PRKCA (0.50) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393187 0.86 PRKCA (0.56) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL393141 0.85 PRKCA (0.55) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL394259 0.82 PRKCA (0.58) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2277169 0.82 PRKCA (0.52) PRKCAMMP12NR1I2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL3093777 0.82 PRKCA (0.72) PRKCAMMP12NR1I2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL3092631 0.82 PRKCA (0.72) PRKCAMMP12NR1I2CYP3A4CYP2C9

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-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 PRKCA 4625/4885MMP12 2333/4885NR1I2 674/4885

“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.