SCHEMBL4393822

SCHEMBL4393822

CC(=O)OC(C)C(CCCCCCCCCC(=O)O)(C(=O)O)C(C)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
PTPN1 P18031 3/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37
PDE4A P27815 1/20 0.37

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
SCHEMBL4384706 1.00 TSHR (0.39) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4383437 1.00 TSHR (0.39) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4394768 1.00 TSHR (0.39) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL3831369 1.00 TSHR (0.39) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4383293 0.98 LMNA (0.37) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4389899 0.93 TSHR (0.34) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4388232 0.86 ALDH1A1 (0.41) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4395467 0.86 ALDH1A1 (0.41) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4384280 0.86 ALDH1A1 (0.41) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL4388236 0.86 ALDH1A1 (0.41) TSHRLMNANFKB1PMP22ALDH1A1

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 TSHR 1933/4885LMNA 1955/4885NFKB1 2334/4885

“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.