SCHEMBL2763746

SCHEMBL2763746

CC1=CC(=O)C(CC(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARD Q03181 12/20 0.37
PPARA Q07869 3/20 0.36
FFAR1 O14842 2/20 0.36
DGAT1 O75907 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGB2 P05107 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGAL P20701 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13995793 0.83 ITGB1 (0.38) TP53L3MBTL1PPARDFFAR1ITGB3
SCHEMBL16321478 0.81 TP53 (0.38) TP53L3MBTL1PPARDPPARAFFAR1
SCHEMBL4102344 0.80 CYP11B1 (0.39) POLBTDP1
SCHEMBL9459051 0.76 TP53 (0.44) TP53L3MBTL1PPARDPPARAFFAR1
SCHEMBL8344022 0.73 NPC1 (0.53)
SCHEMBL15355707 0.73 NPC1 (0.36) MAPT
SCHEMBL15355648 0.70 NPC1 (0.43) POLB
SCHEMBL10780374 0.69 AKR1C4 (0.35) PPARDFFAR1AKR1C4AKR1C3AKR1C2
SCHEMBL7414654 0.69 L3MBTL1 (0.44) TP53L3MBTL1PPARDFFAR1DGAT1
SCHEMBL3592207 0.68 TP53 (0.39) TP53L3MBTL1FFAR1ITGB3ITGB2

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
EP-1656141-B1 TREATMENT FOR ALZHEIMER S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME (GB) 2010-04-14 EP disclosed
US-20090118157-A1 Processes For Production Of Wine Lactone And Its Intermediates And Application Of The Lactone SAN-EI GEN F.F.I. INC. (JP) 2009-05-07 US disclosed
US-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions MERCK SHARP & DOHME LTD. (GB) 2008-06-26 US disclosed
EP-1656141-A1 TREATMENT FOR ALZHEIMER S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LTD. (GB) 2006-05-17 EP disclosed
WO-2005013985-A1 TREATMENT FOR ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2005-02-17 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-20080153817-A1 Treatment for Alzheimer's Disease and Related Conditions PSEN1, PSEN2, APP TP53 3990/4885L3MBTL1 4244/4885PPARD 1278/4885
US-20090118157-A1 Processes For Production Of Wine Lactone And Its Intermediates And Application Of The Lactone DCXR, COASY, AKR7A2 TP53 538/4885L3MBTL1 2571/4885PPARD 2585/4885

“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.