SCHEMBL1131603

SCHEMBL1131603

O=C(O)C=Cc1cc(-c2ccc(OCc3ccccc3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 3/20 0.46
FABP4 P15090 3/20 0.46
MDM2 Q00987 2/20 0.45
BTK Q06187 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
PTGS2 P35354 2/20 0.42
CMKLR1 Q99788 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
PTGER3 P43115 1/20 0.40
PTGDR Q13258 1/20 0.40
PTGS1 P23219 1/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL1131599 1.00 FABP3 (0.46) FABP3FABP4MDM2BTKALDH1A1
SCHEMBL1131279 0.91 FABP3 (0.44) FABP3FABP4MDM2BTKKDM4E
SCHEMBL1131274 0.91 FABP3 (0.44) FABP3FABP4MDM2BTKKDM4E
SCHEMBL1132018 0.87 FABP3 (0.46) FABP3FABP4MDM2BTKPTGS2
SCHEMBL12860103 0.85 FABP3 (0.47) FABP3FABP4ALDH1A1PTGS2CYP2D6
SCHEMBL1131586 0.85 FABP3 (0.45) FABP3FABP4MDM2BTKKDM4E
SCHEMBL1131282 0.85 FABP3 (0.45) FABP3FABP4MDM2BTKKDM4E
SCHEMBL1131572 0.84 HRH3 (0.45) FABP3FABP4MDM2BTKALDH1A1
SCHEMBL4001179 0.83 PTGS2 (0.47) FABP3FABP4PKMPTGS2
SCHEMBL3883647 0.83 PTGS2 (0.47) FABP3FABP4PKMPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP claimed
EP-1663105-A4 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-04-15 EP claimed
JP-2007505114-A 2007-03-08 JP claimed
US-7112601-B2 Cycloalkyl heterocycles for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US claimed
EP-1663105-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-06-07 EP claimed
WO-2005034850-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO claimed
US-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 US claimed
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP disclosed
EP-1663105-A4 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-04-15 EP disclosed
US-7112601-B2 Cycloalkyl heterocycles for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-26 US disclosed
EP-1663105-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
WO-2005034850-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2005-04-07 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-20050075376-A1 Cycloalkyl heterocycles for treating Hepatitis C virus HCCS, NSUN2, HAVCR2 FABP3 3457/4885FABP4 4331/4885MDM2 4023/4885

“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.