SCHEMBL2528031

SCHEMBL2528031

CC(C)CCCOCCCC[O]

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RARB P10826 1/20 0.32
BLM P54132 1/20 0.30

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
SCHEMBL2533550 0.98 ALDH1A1 (0.33) LMNAALDH1A1RARB
SCHEMBL2527386 0.98 ALDH1A1 (0.33) LMNAALDH1A1RARB
SCHEMBL9813412 0.93 LMNA (0.39) LMNAALDH1A1RARB
SCHEMBL10878928 0.93 LMNA (0.39) LMNAALDH1A1RARB
SCHEMBL2528873 0.93 LMNA (0.36) LMNAALDH1A1BLM
SCHEMBL2527273 0.91 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2528860 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2533297 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1402387 0.88 LMNA (0.36) LMNAALDH1A1BLM
SCHEMBL25468179 0.87 LMNA (0.43) LMNAALDH1A1RARBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
WO-2005082459-A2 METHOD OF DECREASING BLOOD CELLS JAPAN TOBACCO INC. (JP) 2005-09-09 WO disclosed
US-20050187221-A1 Method of treating ischemia reperfusion injury JAPAN TOBACCO INC. (JP) 2005-08-25 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP 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-20050187221-A1 Method of treating ischemia reperfusion injury TNF, IL1B, TNNI3 LMNA 3376/4885ALDH1A1 358/4885RARB 645/4885

“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.