SCHEMBL4389899

SCHEMBL4389899

CC(=O)OC(C)C(CCCC(=O)O)(C(=O)O)C(C)OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.34
LMNA P02545 2/20 0.33
SLC22A6 Q4U2R8 2/20 0.33
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 3/20 0.32
AKR1B1 P15121 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
PPARG P37231 4/20 0.31
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
GPR84 Q9NQS5 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
TLR2 O60603 1/20 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
SCHEMBL4383293 0.95 LMNA (0.37) TSHRLMNASLC22A6ALOX15ALDH1A1
SCHEMBL4384706 0.93 TSHR (0.39) TSHRLMNASLC22A6ALOX15ALDH1A1
SCHEMBL4394768 0.93 TSHR (0.39) TSHRLMNASLC22A6ALOX15ALDH1A1
SCHEMBL4393822 0.93 TSHR (0.39) TSHRLMNASLC22A6ALOX15ALDH1A1
SCHEMBL3831369 0.93 TSHR (0.39) TSHRLMNASLC22A6ALOX15ALDH1A1
SCHEMBL4383437 0.93 TSHR (0.39) TSHRLMNASLC22A6ALOX15ALDH1A1
SCHEMBL4384333 0.85 TSHR (0.40) TSHRLMNASLC22A6ALOX15ALDH1A1
SCHEMBL4382366 0.83 PRKCA (0.33) TSHRLMNASLC22A6ALDH1A1AKR1B1
SCHEMBL4383481 0.83 TSHR (0.35) TSHRLMNASLC22A6ALOX15ALDH1A1
SCHEMBL4382415 0.82 ALDH1A1 (0.38) TSHRLMNASLC22A6ALOX15ALDH1A1

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 1955/4885SLC22A6 852/4885

“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.