SCHEMBL880962

SCHEMBL880962

COc1ccc2c(c1)C=C(c1ccccc1CN1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.46
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 7/20 0.36
SCN5A Q14524 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL880952 0.89 NR1I2 (0.52) NR1I2CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL880964 0.88 NR1I2 (0.44) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL880963 0.86 PRKCA (0.43) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL881076 0.85 PRKCA (0.45) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL881050 0.84 NR1I2 (0.41) NR1I2PRKCAMMP12TSHRSMN1; SMN2
SCHEMBL841461 0.83 NR1I2 (0.49) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL10185755 0.82 PRKCA (0.44) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL10186128 0.82 PRKCA (0.46) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL881073 0.82 NR1I2 (0.43) NR1I2PRKCAMMP12CYP3A4CYP2C9
SCHEMBL13936872 0.81 NR1I2 (0.61) 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.