SCHEMBL3836339

SCHEMBL3836339

COC(=O)CCCCC(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.42
PRKCA P17252 2/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DGKA P23743 1/20 0.38
PAM P19021 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL3835787 0.98 TSHR (0.50) TSHRLMNAALDH1A1RECQLPRKCA
SCHEMBL3838294 0.98 TSHR (0.50) TSHRLMNAALDH1A1RECQLPRKCA
SCHEMBL3829281 0.98 TSHR (0.50) TSHRLMNAALDH1A1RECQLPRKCA
SCHEMBL15635179 0.92 TSHR (0.54) TSHRLMNAALDH1A1RECQLPRKCA
SCHEMBL3835100 0.92 DGKA (0.43) TSHRLMNAALDH1A1PRKCAKMT2A
SCHEMBL3833050 0.90 DGKA (0.47) TSHRLMNAALDH1A1PRKCAKMT2A
SCHEMBL6662546 0.86 PAM (0.51) TSHRALDH1A1KMT2AMEN1DGKA
SCHEMBL3835097 0.85 TSHR (0.45) TSHRLMNAALDH1A1KMT2AMEN1
Bis(Pivaloyloxymethyl) Succinate SCHEMBL3123390 0.83 PRKCA (0.41) TSHRALDH1A1PRKCADGKA
SCHEMBL7326020 0.83 CYP1A2 (0.50) TSHRLMNAALDH1A1RECQLPRKCA

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 3 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
EP-1448508-B1 DOUBLE ESTERS DRUG DISCOVERY LAB AS (NO) 2009-09-23 EP 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 1955/4885ALDH1A1 296/4885

“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.