SCHEMBL5956489

SCHEMBL5956489

O=C(O)CCCCCCCC1OC1CCCCCCCCO.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.61
FFAR1 O14842 2/20 0.61
FFAR4 Q5NUL3 2/20 0.61
CAMK2A Q9UQM7 1/20 0.48
TSHR P16473 5/20 0.46
LMNA P02545 3/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
FABP4 P15090 2/20 0.39
ALOX15 P16050 2/20 0.39

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
SCHEMBL19427058 0.98 GPR84 (0.64) GPR84FFAR1FFAR4CAMK2ATSHR
SCHEMBL6265100 0.98 GPR84 (0.64) GPR84FFAR1FFAR4CAMK2ATSHR
SCHEMBL320495 0.98 GPR84 (0.64) GPR84FFAR1FFAR4CAMK2ATSHR
SCHEMBL12853398 0.98 GPR84 (0.64) GPR84FFAR1FFAR4CAMK2ATSHR
SCHEMBL320497 0.98 GPR84 (0.64) GPR84FFAR1FFAR4CAMK2ATSHR
SCHEMBL320496 0.98 GPR84 (0.64) GPR84FFAR1FFAR4CAMK2ATSHR
SCHEMBL5956367 0.96 GPR84 (0.61) GPR84FFAR1FFAR4CAMK2ATSHR
SCHEMBL829680 0.90 TSHR (0.57) GPR84FFAR1FFAR4TSHRLMNA
SCHEMBL11579695 0.90 TSHR (0.57) GPR84FFAR1FFAR4TSHRLMNA
SCHEMBL829682 0.90 TSHR (0.57) GPR84FFAR1FFAR4TSHRLMNA

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 GPR84 878/4885FFAR1 2214/4885FFAR4 2405/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 GPR84 2131/4885FFAR1 3208/4885FFAR4 3424/4885

“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.