SCHEMBL16800511

SCHEMBL16800511

CCC(CC)OC(=O)/C=C/C=C/C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.45
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSK P43235 1/20 0.33
PTPN1 P18031 1/20 0.31
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30

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
SCHEMBL20563811 1.00 HCAR2 (0.45) HCAR2ACHEBACE1PPARAALDH1A1
SCHEMBL16800710 0.92 CTSK (0.37) HCAR2CTSK
SCHEMBL20563819 0.89 ACHE (0.44) HCAR2ACHEBACE1PPARAALDH1A1
SCHEMBL5175099 0.88 HCAR2 (0.59) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL5175102 0.88 HCAR2 (0.59) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL5175849 0.88 HCAR2 (0.59) HCAR2ALDH1A1ALOX15RECQLHSD17B10
SCHEMBL28094916 0.86 ACHE (0.49) HCAR2ACHEBACE1CTSKPTPN1
SCHEMBL28094918 0.86 ACHE (0.49) HCAR2ACHEBACE1CTSKPTPN1
SCHEMBL28094921 0.86 ACHE (0.49) HCAR2ACHEBACE1CTSKPTPN1
SCHEMBL15355448 0.83 HCAR2 (0.44) HCAR2CTSKTSHR

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-20170001944-A1 CHEMICAL PROCESS TO CONVERT MUCIC ACID TO ADIPIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-05 US disclosed
US-20170001944-A1 CHEMICAL PROCESS TO CONVERT MUCIC ACID TO ADIPIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-05 US disclosed
WO-2015084265-A1 CHEMICAL PROCESS TO CONVERT MUCIC ACID TO ADIPIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-11 WO 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-20170001944-A1 CHEMICAL PROCESS TO CONVERT MUCIC ACID TO ADIPIC ACID MUC1, ADIPOR1, FASN HCAR2 35/4885ACHE 4729/4885BACE1 4694/4885

“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.