SCHEMBL5956541

SCHEMBL5956541

O=C(O)CCCCCCCC(O)C(O)CCCCCCCCO.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.67
FFAR4 Q5NUL3 2/20 0.67
GPR84 Q9NQS5 1/20 0.67
CAMK2A Q9UQM7 1/20 0.52
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
GSTK1 Q9Y2Q3 2/20 0.47
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 1/20 0.44
ENPEP Q07075 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL7639744 0.98 FFAR1 (0.70) FFAR1FFAR4GPR84CAMK2ALMNA
SCHEMBL1134703 0.98 FFAR1 (0.70) FFAR1FFAR4GPR84CAMK2ALMNA
SCHEMBL30678150 0.98 FFAR1 (0.70) FFAR1FFAR4GPR84CAMK2ALMNA
SCHEMBL284713 0.98 FFAR1 (0.70) FFAR1FFAR4GPR84CAMK2ALMNA
SCHEMBL7077765 0.98 FFAR1 (0.70) FFAR1FFAR4GPR84CAMK2ALMNA
SCHEMBL1134705 0.98 FFAR1 (0.70) FFAR1FFAR4GPR84CAMK2ALMNA
SCHEMBL284714 0.98 FFAR1 (0.70) FFAR1FFAR4GPR84CAMK2ALMNA
SCHEMBL5956513 0.96 FFAR1 (0.67) FFAR1FFAR4GPR84CAMK2ALMNA
SCHEMBL9359990 0.96 FFAR1 (0.67) FFAR1FFAR4GPR84CAMK2ALMNA
SCHEMBL21461644 0.92 FFAR1 (0.61) FFAR1FFAR4GPR84CAMK2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060003948-A1 Compositions that include a triterpene and a carrier REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-05 US disclosed
WO-2005077377-A1 COMPOSITIONS THAT INCLUDE A TRITERPENE AND A CARRIER REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2005-08-25 WO disclosed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 US disclosed
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 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 (2 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-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 FFAR1 2214/4885FFAR4 2405/4885GPR84 878/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 FFAR1 3208/4885FFAR4 3424/4885GPR84 2131/4885

“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.