Sugi Predict

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SCHEMBL4394097

SCHEMBL4394097

CCOC(=O)OC(C)OC(=O)C(CCCC(=O)O)C(C)OC(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ GABRE P78334 2/20 0.33
▸ GABRA6 Q16445 2/20 0.33
▸ GABRG1 Q8N1C3 2/20 0.33
▸ GABRG3 Q99928 2/20 0.33
▸ GABRQ Q9UN88 2/20 0.33
▸ SOAT1 P35610 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.31
▸ FFAR1 O14842 2/20 0.31

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
SCHEMBL4395402 0.96 FFAR4 (0.36) ALDH1A1FFAR4FFAR1AKR1B1GPR84
SCHEMBL4389089 0.94 FFAR4 (0.39) ALDH1A1FFAR4FFAR1GPR84PPARG
SCHEMBL4387909 0.94 FFAR4 (0.39) ALDH1A1FFAR4FFAR1GPR84PPARG
SCHEMBL4388748 0.94 FFAR4 (0.39) ALDH1A1FFAR4FFAR1GPR84PPARG
SCHEMBL4388297 0.94 FFAR4 (0.39) ALDH1A1FFAR4FFAR1GPR84PPARG
SCHEMBL4396168 0.94 FFAR4 (0.39) ALDH1A1FFAR4FFAR1GPR84PPARG
SCHEMBL4384337 0.88 TSHR (0.37) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL4394675 0.84 TSHR (0.36) ALDH1A1FFAR4FFAR1AKR1B1TSHR
SCHEMBL4388242 0.83 ALDH1A1 (0.38) ALDH1A1FFAR4FFAR1GPR84PPARG
SCHEMBL4395469 0.83 ALDH1A1 (0.38) ALDH1A1FFAR4FFAR1GPR84PPARG

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 296/4885GABRP 1400/4885GABRD 739/4885

“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.