SCHEMBL5134441

SCHEMBL5134441

CC(=O)OCCCCCc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.55
ESR1 P03372 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
TACR2 P21452 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SHBG P04278 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSPD1 P10809 1/20 0.55
ADRB3 P13945 1/20 0.55
HTR2C P28335 1/20 0.55
HSPE1 P61604 1/20 0.55
HIF1A Q16665 1/20 0.55
TST Q16762 1/20 0.55

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
SCHEMBL15809524 0.98 ESR1 (0.52) ACHEESR1ADRA2AADORA3TACR2
Dodecylacetate SCHEMBL28973893 0.92 ALDH1A1 (0.65) ACHEESR1ADRA2AADORA3TACR2
SCHEMBL3675245 0.86 CTDSP1 (0.49) KDM4EALDH1A1LMNAPTGS2TNKS2
SCHEMBL2387794 0.85 NPC1 (0.57) ESR1KDM4EALDH1A1CALM1F13A1
SCHEMBL1263885 0.85 HRH4 (0.44) ALDH1A1LMNAPTGS2TNKS2
SCHEMBL1263483 0.85 HRH4 (0.44) ALDH1A1LMNAPTGS2TNKS2
SCHEMBL2310305 0.85 HRH4 (0.44) ALDH1A1LMNAPTGS2TNKS2
SCHEMBL16673001 0.84 CTDSP1 (0.50) KDM4EALDH1A1LMNACYP3A4TNKS2
SCHEMBL15529361 0.84 LMNA (0.59) ALDH1A1LMNA
SCHEMBL1345319 0.84 LMNA (0.59) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295973-A1 METHODS AND COMPOSITIONS OF DERIVATIVES OF PROBUCOL FOR THE TREATMENT OF DIABETES SALUTRIA PHARMACEUTICALS LLC 2012-11-22 US disclosed
US-8252840-B2 administering monoesters of probucol, such as AGI-1067, succinobucol SALUTRIA PHARMACEUTICALS LLC (US) 2012-08-28 US disclosed
US-20080280979-A1 Methods and Compositions of Derivatives of Probucol for the Treatment of Diabetes CRABTREE ACQUISITION CO, LLC 2008-11-13 US disclosed
EP-0994853-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 Atherogenics, Inc. (US) 2000-04-26 EP disclosed
WO-1998051662-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 ATHEROGENICS, INC. (US) 1998-11-19 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 (2 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-20080280979-A1 Methods and Compositions of Derivatives of Probucol for the Treatment of Diabetes PNLIP, SLC5A2, LIPC ACHE 4226/4885ESR1 4443/4885ADRA2A 2920/4885
US-20120295973-A1 METHODS AND COMPOSITIONS OF DERIVATIVES OF PROBUCOL FOR THE TREATMENT OF DIABETES PNLIP, SLC5A2, LIPC ACHE 4226/4885ESR1 4443/4885ADRA2A 2920/4885

“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.