SCHEMBL4821680

SCHEMBL4821680

C=Cc1ccccc1-c1c(C2CCCCC2)c2ccc(C(=O)OC)cc2n1CC(=C)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP2C9 P11712 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SCN9A Q15858 6/20 0.35
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NR1I2 O75469 1/20 0.34
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4821691 0.93 CNR2 (0.41) CNR2PRKCAMMP12ALDH1A1CYP3A4
SCHEMBL13939958 0.93 CNR2 (0.40) CNR2PRKCAMMP12ALDH1A1CYP3A4
SCHEMBL4823883 0.93 CNR2 (0.38) CNR2PRKCAMMP12ALDH1A1CYP3A4
SCHEMBL4823276 0.92 CNR2 (0.41) CNR2PRKCAMMP12ALDH1A1CYP3A4
SCHEMBL3362749 0.91 PRKCA (0.39) CNR2PRKCAMMP12ALDH1A1CYP3A4
SCHEMBL3583062 0.88 PRKCA (0.41) CNR2PRKCAMMP12ALDH1A1CYP3A4
SCHEMBL14263655 0.88 PRKCA (0.37) CNR2PRKCAMMP12ALDH1A1CYP3A4
SCHEMBL3091875 0.87 PRKCA (0.40) CNR2PRKCAMMP12ALDH1A1CYP3A4
SCHEMBL14004136 0.86 SCN9A (0.40) CNR2PRKCAMMP12ALDH1A1CYP3A4
SCHEMBL3596844 0.86 PRKCA (0.39) CNR2PRKCAMMP12ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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 (2 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 CNR2 1457/4885PRKCA 3479/4885MMP12 3512/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 CNR2 1457/4885PRKCA 3479/4885MMP12 3512/4885

“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.