SCHEMBL19862614

SCHEMBL19862614

CC(=O)CCCCC(=O)OCCOCCOC(=O)CCCCC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
DNM1 Q05193 1/20 0.43
PAOX Q6QHF9 1/20 0.41
EPHX2 P34913 2/20 0.41
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
MAPT P10636 2/20 0.39
BLM P54132 1/20 0.39
PAM P19021 2/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CYP1A2 P05177 1/20 0.38
ACHE P22303 1/20 0.37
TP53 P04637 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL19862613 0.98 DGKA (0.61) DGKADNM1PAOXEPHX2TSHR
SCHEMBL16330783 0.96 DGKA (0.52) DGKADNM1PAOXEPHX2TSHR
SCHEMBL17525969 0.92 EPHX2 (0.50) DGKADNM1PAOXEPHX2TSHR
SCHEMBL14174579 0.92 DGKA (0.50) DGKADNM1PAOXEPHX2TSHR
SCHEMBL14879118 0.86 ADRA2A (0.48) DGKADNM1EPHX2TSHRALDH1A1
SCHEMBL4570263 0.86 ADRA2A (0.48) DGKADNM1EPHX2TSHRALDH1A1
SCHEMBL16020457 0.86 ADRA2A (0.48) DGKADNM1EPHX2TSHRALDH1A1
SCHEMBL16020410 0.86 ADRA2A (0.48) DGKADNM1EPHX2TSHRALDH1A1
SCHEMBL14434076 0.85 DGKA (0.55) DGKADNM1PAOXTSHRALDH1A1
SCHEMBL14016564 0.83 DGKA (0.59) DGKADNM1PAOXTSHRALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042996-A1 Hydrogel-Linked IL-1ra Prodrug ASCENDIS PHARMA OSTEOARTHRITIS DIVISION A/S (DK) 2018-02-15 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-20180042996-A1 Hydrogel-Linked IL-1ra Prodrug IL1A, IL1B, IL1R1 DGKA 2415/4885DNM1 4767/4885PAOX 3508/4885

“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.