SCHEMBL4386107

SCHEMBL4386107

COC(=O)OC(C)OC(=O)C(CCCCCCCC(=O)O)C(C)OC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 1/20 0.37
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
ADRA1A P35348 1/20 0.36
TSHR P16473 4/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
BHMT Q93088 1/20 0.34
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
GPR84 Q9NQS5 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL4395469 1.00 ALDH1A1 (0.38) ALDH1A1FFAR4FFAR1KDM4CKDM4A
SCHEMBL4388242 1.00 ALDH1A1 (0.38) ALDH1A1FFAR4FFAR1KDM4CKDM4A
SCHEMBL4384284 1.00 ALDH1A1 (0.38) ALDH1A1FFAR4FFAR1KDM4CKDM4A
SCHEMBL4388239 1.00 ALDH1A1 (0.38) ALDH1A1FFAR4FFAR1KDM4CKDM4A
SCHEMBL4394675 0.99 TSHR (0.36) ALDH1A1FFAR4FFAR1KDM4CKDM4A
SCHEMBL4384337 0.94 TSHR (0.37) ALDH1A1ADRA1ATSHRGSTK1BHMT
SCHEMBL4387909 0.89 FFAR4 (0.39) ALDH1A1FFAR4FFAR1KDM4CKDM4A
SCHEMBL4388297 0.89 FFAR4 (0.39) ALDH1A1FFAR4FFAR1KDM4CKDM4A
SCHEMBL4388748 0.89 FFAR4 (0.39) ALDH1A1FFAR4FFAR1KDM4CKDM4A
SCHEMBL4389089 0.89 FFAR4 (0.39) ALDH1A1FFAR4FFAR1KDM4CKDM4A

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-7629383-B2 Double esters DRUG DISCOVERY LABORATORY AS (NO) 2009-12-08 US disclosed
US-20050203181-A1 Double esters DRUG DISCOVERY LABORATORY AS (NO) 2005-09-15 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-20050203181-A1 Double esters ACACA, CES1, ACACB ALDH1A1 296/4885FFAR4 80/4885FFAR1 87/4885

“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.