SCHEMBL4827985

SCHEMBL4827985

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C=C(C(=O)OCc1ccccc1)Cc1ccccc1-3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 2/20 0.35
PPM1D O15297 1/20 0.34
CYP3A4 P08684 5/20 0.34
TSHR P16473 3/20 0.34
NR1I2 O75469 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL4822935 0.91 PRKCA (0.39) HDAC1HDAC8HDAC6PRKCAMMP12
SCHEMBL3852754 0.89 PRKCA (0.41) HDAC1HDAC8HDAC6PRKCAMMP12
SCHEMBL4140481 0.82 NR1I2 (0.51) PRKCAMMP12CNR2ALDH1A1MAPT
SCHEMBL4822224 0.81 SCN9A (0.39) HDAC1HDAC8HDAC6PRKCAMMP12
SCHEMBL3896716 0.80 PRKCA (0.46) PRKCAMMP12ALDH1A1CYP3A4TSHR
SCHEMBL13936870 0.80 NR1I2 (0.52) HDAC1HDAC8HDAC6PRKCAMMP12
SCHEMBL3969108 0.80 NR1I2 (0.53) PRKCAMMP12CYP3A4NR1I2CYP2C9
SCHEMBL14253458 0.79 SCN9A (0.39) PRKCAMMP12ALDH1A1SMN1; SMN2LMNA
SCHEMBL4140477 0.79 NR1I2 (0.35) PRKCAMMP12CNR2ALDH1A1RAB9A
SCHEMBL13940194 0.79 PRKCA (0.45) HDAC1HDAC8HDAC6PRKCAMMP12

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 5 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
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO 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

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 HDAC1 886/4885HDAC8 1983/4885HDAC6 1265/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 HDAC1 886/4885HDAC8 1983/4885HDAC6 1265/4885

“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.