SCHEMBL2066622

SCHEMBL2066622

CCCCCCCCCCCCCCC(C(=O)O)C(=O)CC(O)CN

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.51
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
GABRR1 P24046 2/20 0.42
LMNA P02545 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL2817552 0.88 GPR84 (0.67) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL28022735 0.79 GPR84 (0.52) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL28022723 0.79 GPR84 (0.52) GPR84FFAR1FFAR4MAPTLCK
Acetic Acid SCHEMBL27472146 0.77 GPR84 (0.60) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL30550507 0.76 GPR84 (0.57) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL6154159 0.76 GPR84 (0.57) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL15527770 0.76 FFAR1 (0.68) GPR84FFAR1FFAR4
SCHEMBL19693898 0.76 FFAR1 (0.68) GPR84FFAR1FFAR4
SCHEMBL11967105 0.76 GPR84 (0.59) GPR84FFAR1FFAR4
Stearic Acid SCHEMBL27603252 0.76 FFAR4 (0.79) GPR84FFAR1FFAR4PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148321-B2 Bioconjugates as therapeutic agent and synthesis thereof NATIONAL INSTITUTE OF IMMUNOLOGY (US) 2012-04-03 US claimed
US-20090088372-A1 Novel Bioconjugates As Therapeutic Agent and Synthesis Thereof NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2009-04-02 US claimed
EP-1996236-A2 NOVEL BIOCONJUGATES AS THERAPEUTIC AGENT AND SYNTHESIS THEREOF National Institute of Immunology (IN) 2008-12-03 EP claimed
WO-2007108013-A2 NOVEL BIOCONJUGATES AS THERAPEUTIC AGENT AND SYNTHESIS THEREOF NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2007-09-27 WO claimed
US-8148321-B2 Bioconjugates as therapeutic agent and synthesis thereof NATIONAL INSTITUTE OF IMMUNOLOGY (US) 2012-04-03 US disclosed
US-20090088372-A1 Novel Bioconjugates As Therapeutic Agent and Synthesis Thereof NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2009-04-02 US disclosed
EP-1996236-A2 NOVEL BIOCONJUGATES AS THERAPEUTIC AGENT AND SYNTHESIS THEREOF National Institute of Immunology (IN) 2008-12-03 EP disclosed
WO-2007108013-A2 NOVEL BIOCONJUGATES AS THERAPEUTIC AGENT AND SYNTHESIS THEREOF NATIONAL INSTITUTE OF IMMUNOLOGY (IN) 2007-09-27 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-20090088372-A1 Novel Bioconjugates As Therapeutic Agent and Synthesis Thereof DNPEP, LNPEP, RNPEP GPR84 945/4885FFAR1 1146/4885FFAR4 1158/4885

“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.