SCHEMBL3530779

SCHEMBL3530779

CC(C)OC(=O)N1CCCC(=O)c2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 4/20 0.44
KDM4E B2RXH2 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
PLA2G7 Q13093 1/20 0.35
MGLL Q99685 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL2475561 0.90 ABHD6 (0.46) ABHD6KDM4EPDK1PDK2PDK3
SCHEMBL3532281 0.85 SLC6A15 (0.41) ABHD6KDM4EPLA2G7MGLLSMN1; SMN2
SCHEMBL3531912 0.82 BRD4 (0.43) ABHD6KDM4EPDK1PDK2PDK3
SCHEMBL3535539 0.82 NOTUM (0.48) LMNAMAPTRAB9ASMN1; SMN2CYP2D6
SCHEMBL11888090 0.81 KDM4E (0.39) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL3527205 0.81 KDM4E (0.33) ABHD6KDM4EMAPTNPC1RAB9A
SCHEMBL3538520 0.80 SRD5A1 (0.42) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL2475676 0.80 KDM4E (0.41) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL2479465 0.77 TSHR (0.33) KDM4ELMNAMAPTCYP1A2CYP2D6
SCHEMBL29829118 0.76 ABHD6 (0.42) ABHD6MEN1KMT2ANPSR1SRD5A1

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
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 WO 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-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 ABHD6 190/4885KDM4E 3781/4885PDK1 3777/4885

“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.