SCHEMBL2863276

SCHEMBL2863276

CCCCC(=O)C(C)(O)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.45
CES1 P23141 10/20 0.44
CES2 O00748 4/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.39

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
SCHEMBL29655327 0.93 FAAH (0.54) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2871597 0.93 FAAH (0.54) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2871857 0.91 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2862073 0.91 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL2860845 0.86 CES1 (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL27492133 0.82 FAAH (0.45) FAAHCES1CES2MEN1CYP1A2
Hydrogen Sulfide SCHEMBL28099748 0.80 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11232114 0.78 CES1 (0.50) FAAHCES1CES2MEN1CYP1A2
SCHEMBL16320595 0.77 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL29487300 0.76 FAAH (0.54) FAAHCES1CES2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858351-B1 FLAVORING INGREDIENTS FIRMENICH & CIE (CH) 2008-11-12 EP claimed
EP-1858351-A1 FLAVORING INGREDIENTS FIRMENICH SA (CH) 2007-11-28 EP claimed
US-20070259088-A1 FLAVORING INGREDIENTS FIRMENICH SA (CH) 2007-11-08 US claimed
WO-2006092749-A1 FLAVORING INGREDIENTS FIRMENICH SA (CH) 2006-09-08 WO claimed
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
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
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 FAAH 751/4885CES1 1136/4885CES2 843/4885

“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.