SCHEMBL2860845

SCHEMBL2860845

CCCC(=O)C(C)(O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.39
CES2 O00748 3/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 3/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
FAAH O00519 8/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL2863276 0.86 FAAH (0.45) CES1CES2ALDH1A1FAAHMEN1
SCHEMBL2871597 0.84 FAAH (0.54) CES1CES2TSHRALDH1A1FAAH
SCHEMBL29655327 0.84 FAAH (0.54) CES1CES2TSHRALDH1A1FAAH
SCHEMBL2862073 0.82 FAAH (0.55) CES1CES2TSHRALDH1A1FAAH
SCHEMBL2871857 0.82 FAAH (0.55) CES1CES2TSHRALDH1A1FAAH
SCHEMBL5270259 0.80 HDAC3 (0.43) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL2864735 0.79 TDP1 (0.40) FFAR3TSHRALDH1A1
Hydrogen Sulfide SCHEMBL28112419 0.78 HDAC3 (0.42) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL25307640 0.77 CES1 (0.41) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL28687646 0.76

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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
WO-2012054527-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed
CN-101115403-B flavouring ingredient FIRMENICH S.A. (CH) 2011-11-30 CN disclosed
US-7794767-B2 Flavoring ingredients FIRMENICH SA (CH) 2010-09-14 US disclosed
EP-1858351-B1 FLAVORING INGREDIENTS FIRMENICH & CIE (CH) 2008-11-12 EP disclosed
CN-101115403-A Flavouring ingredient FIRMENICH & CIE (CH) 2008-01-30 CN disclosed
EP-1858351-A1 FLAVORING INGREDIENTS FIRMENICH SA (CH) 2007-11-28 EP disclosed
US-20070259088-A1 FLAVORING INGREDIENTS FIRMENICH SA (CH) 2007-11-08 US disclosed
WO-2006092749-A1 FLAVORING INGREDIENTS FIRMENICH SA (CH) 2006-09-08 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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 CES1 1136/4885CES2 843/4885HDAC3 1979/4885

“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.