SCHEMBL2864735

SCHEMBL2864735

CCC(=O)C(C)(O)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FFAR3 O14843 1/20 0.33
GAA P10253 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 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
SCHEMBL2860845 0.79 CES1 (0.39) ALDH1A1FFAR3TSHR
SCHEMBL14370458 0.78 ALDH1A1 (0.45) TDP1ALDH1A1FFAR3HMGCRCHRM1
Hydrogen Sulfide SCHEMBL28099743 0.76 ALDH1A1 (0.43) TDP1ALDH1A1FFAR3HMGCRCHRM1
SCHEMBL2863276 0.75 FAAH (0.45) ALDH1A1
SCHEMBL16599779 0.75
SCHEMBL10693856 0.74 TDP1 (0.42) TDP1ALDH1A1FFAR3GAA
SCHEMBL4140338 0.74 TDP1 (0.42) TDP1ALDH1A1FFAR3GAA
SCHEMBL2871597 0.74 FAAH (0.54) TDP1ALDH1A1TSHR
SCHEMBL8027762 0.73
SCHEMBL3668666 0.73

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 9 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
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 TDP1 3786/4885ALDH1A1 796/4885FFAR3 61/4885

“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.