SCHEMBL880964

SCHEMBL880964

COc1ccc2c(c1)C=C(c1ccccc1OCCN1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.44
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PTPN1 P18031 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
HRH2 P25021 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
HTR2A P28223 4/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL881050 0.90 NR1I2 (0.41) NR1I2PRKCAMMP12KEAP1NFE2L2
SCHEMBL880956 0.89 NR1I2 (0.49) NR1I2CYP3A4CYP2C9CYP2C19HTR2A
SCHEMBL880962 0.88 NR1I2 (0.46) NR1I2PRKCAMMP12KDM4EPOLB
SCHEMBL881023 0.87 PRKCA (0.51) NR1I2PRKCAMMP12KDM4ECYP3A4
SCHEMBL881076 0.83 PRKCA (0.45) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL881007 0.83 PRKCA (0.42) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL10186009 0.82 PRKCA (0.41) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL841461 0.81 NR1I2 (0.49) NR1I2PRKCAMMP12POLBL3MBTL1
SCHEMBL10185755 0.80 PRKCA (0.44) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL10186128 0.80 PRKCA (0.46) NR1I2PRKCAMMP12CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178878-B1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP disclosed
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
WO-2009023487-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-19 WO disclosed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 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-20090042860-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885PRKCA 2143/4885MMP12 1631/4885

“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.