SCHEMBL2181858

SCHEMBL2181858

O=C(O)CCCCCCCCCCC(O)CCCCCCCCCCC(=O)O

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.79
FFAR1 O14842 3/20 0.79
LMNA P02545 2/20 0.63
TSHR P16473 2/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
GSTK1 Q9Y2Q3 2/20 0.56
PTPN1 P18031 1/20 0.53
GPR84 Q9NQS5 2/20 0.52
ALDH1A1 P00352 2/20 0.52
FAAH O00519 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50

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
SCHEMBL29654886 1.00 FFAR4 (0.79) FFAR4FFAR1LMNATSHRNFKB1
SCHEMBL8606372 1.00 FFAR4 (0.79) FFAR4FFAR1LMNATSHRNFKB1
SCHEMBL31650811 1.00 FFAR4 (0.79) FFAR4FFAR1LMNATSHRNFKB1
SCHEMBL29376829 1.00 FFAR4 (0.79) FFAR4FFAR1LMNATSHRNFKB1
SCHEMBL5672920 1.00 FFAR4 (0.79) FFAR4FFAR1LMNATSHRNFKB1
SCHEMBL5742369 1.00 FFAR4 (0.79) FFAR4FFAR1LMNATSHRNFKB1
SCHEMBL15009701 1.00 FFAR4 (0.79) FFAR4FFAR1LMNATSHRNFKB1
SCHEMBL4798381 1.00 FFAR4 (0.79) FFAR4FFAR1LMNATSHRNFKB1
SCHEMBL22612709 1.00 FFAR4 (0.79) FFAR4FFAR1LMNATSHRNFKB1
SCHEMBL29485710 1.00 FFAR4 (0.79) FFAR4FFAR1LMNATSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 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-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B FFAR4 1217/4885FFAR1 1769/4885LMNA 3322/4885

“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.