SCHEMBL1131968

SCHEMBL1131968

O=C(O)CCc1cc(-c2ccc(OCc3ccccc3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 3/20 0.54
FABP4 P15090 3/20 0.54
GCGR P47871 1/20 0.51
FFAR1 O14842 7/20 0.48
FFAR4 Q5NUL3 3/20 0.48
MDM2 Q00987 1/20 0.46
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
AKR1B1 P15121 1/20 0.45
CMKLR1 Q99788 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
PTGS2 P35354 1/20 0.44
BTK Q06187 2/20 0.44
CYP2D6 P10635 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL1131593 0.91 FABP3 (0.47) FABP3FABP4GCGRMDM2CMKLR1
SCHEMBL1131895 0.87 HRH3 (0.48) FABP3FABP4GCGRMDM2CMKLR1
SCHEMBL12860204 0.85 FABP3 (0.55) FABP3FABP4GCGRHRH3PTGS2
SCHEMBL1131960 0.84 FABP3 (0.47) FABP3FABP4GCGRFFAR1MDM2
SCHEMBL1132134 0.84 MDM2 (0.63) FABP3FABP4MDM2CMKLR1HRH3
SCHEMBL4230947 0.81 CMKLR1 (0.58) CMKLR1
SCHEMBL1132018 0.80 FABP3 (0.46) FABP3FABP4GCGRMDM2CMKLR1
SCHEMBL1131599 0.80 FABP3 (0.46) FABP3FABP4MDM2PTGER3CMKLR1
SCHEMBL1131603 0.80 FABP3 (0.46) FABP3FABP4MDM2PTGER3CMKLR1
SCHEMBL1131950 0.80 FABP3 (0.46) FABP3FABP4FFAR1MDM2CMKLR1

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 4331/4885GCGR 3353/4885

“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.