SCHEMBL13611716

SCHEMBL13611716

CCCCC(C)/C=C/C(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
CA2 P00918 6/20 0.37
CA1 P00915 5/20 0.37
MAPK1 P28482 1/20 0.36
SLC15A1 P46059 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSK P43235 1/20 0.33
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL13611749 0.85 ACHE (0.37) ACHEBACE1CA2CA1MAPK1
SCHEMBL8965243 0.82 ACHE (0.55) ACHEBACE1CA2CA1MAPK1
SCHEMBL8965248 0.82 ACHE (0.55) ACHEBACE1CA2CA1MAPK1
SCHEMBL8948267 0.82 ACHE (0.42) ACHEBACE1CA2CA1MAPK1
SCHEMBL8948270 0.82 ACHE (0.42) ACHEBACE1CA2CA1MAPK1
SCHEMBL13604829 0.80 ACHE (0.41) ACHEBACE1CA2CA1MAPK1
SCHEMBL11473461 0.80 CA2 (0.44) ACHEBACE1CA2CA1MAPK1
SCHEMBL13611715 0.78 POLB (0.35) ACHEBACE1CA2CA1MAPK1
SCHEMBL7939874 0.78 GPR84 (0.41) CA2CA1TRPA1ACE2
SCHEMBL7939877 0.78 GPR84 (0.41) CA2CA1TRPA1ACE2

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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 ACHE 484/4885BACE1 4260/4885CA2 4166/4885

“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.