SCHEMBL2680437

SCHEMBL2680437

CC(C)(C)c1ccc(C2OCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TSHR P16473 1/20 0.41
TYR P14679 1/20 0.39
PRKDC P78527 1/20 0.36
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 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
SCHEMBL10087877 0.92 LMNA (0.51) LMNAALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL994265 0.83 ALDH1A1 (0.38) LMNAALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL16501126 0.82 ALDH1A1 (0.35) LMNAALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL9451016 0.81 MEN1 (0.44) SMN1; SMN2TSHRCCNB2CDK1CCNB1
SCHEMBL14062434 0.80 SLC6A2 (0.38) LMNAALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL11544779 0.79 MAPT (0.48) LMNAALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL13651803 0.77 SLC6A2 (0.53) LMNAALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL11937216 0.76 LMNA (0.49) LMNAALDH1A1SMN1; SMN2ACHEKIF11
SCHEMBL14062463 0.76 KIF11 (0.39) LMNAALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL1262399 0.76 SLC6A2 (0.51) LMNAALDH1A1SLC6A2SLC6A4SLC6A3

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-8227456-B2 Pharmaceutical composition for preventing and treating metabolic bone diseases containing alpha-arylmethoxyacrylate derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-07-24 US disclosed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-7879835-B2 treating osteoporosis, comprising administering drugs such as (E)-methyl 2-(2-((4-octylphenoxy)methyl)-3-methoxyacrylate, which inhibit osteoclast formation or resorption activity; side effect reduction KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-02-01 US disclosed
US-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-10-07 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US disclosed
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-13 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 (3 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-20100256367-A1 Pharmaceutical Composition For Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyactylate Derivatives ARSA, BMP2, BMP1 LMNA 1238/4885ALDH1A1 721/4885SMN1; SMN2 1743/4885
US-20090069580-A1 Alkene Hydrofunctionalization Reactions ADH1A, ADH1C, ADH5 LMNA 4446/4885ALDH1A1 28/4885SMN1; SMN2 3156/4885
US-20080280901-A1 Pharmaceutical Composition for Preventing and Treating Metabolic Bone Diseases Containing Alpha-Arylmethoxyacrylate Derivatives CYP24A1, SOST, ACP3 LMNA 1077/4885ALDH1A1 537/4885SMN1; SMN2 2523/4885

“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.