SCHEMBL2089494

SCHEMBL2089494

CCCCCC[C@@H](OC)[C@@H](CCCCC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.50
FFAR1 O14842 2/20 0.50
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
ACE2 Q9BYF1 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.44
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ALDH1A1 P00352 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40

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
SCHEMBL9508548 0.91 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2482138 0.82 TRPV1 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8660341 0.82 GPR84 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL338186 0.82 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL337767 0.82 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL37192 0.82 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5547897 0.82 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL337012 0.82 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL9066915 0.82 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD
SCHEMBL26969031 0.82 GPR84 (0.64) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163713-B2 Trehalose compound and pharmaceutical comprising the compound OTSUKA CHEMICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20100249057-A1 TREHALOSE COMPOUND AND PHARMACEUTICAL COMPRISING THE COMPOUND OTSUKA CHEMICAL CO., LTD. (JP) 2010-09-30 US 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-20100249057-A1 TREHALOSE COMPOUND AND PHARMACEUTICAL COMPRISING THE COMPOUND ADORA3, TREH, ADORA1 GPR84 512/4885FFAR1 186/4885MAPT 2956/4885

“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.