SCHEMBL13611714

SCHEMBL13611714

CCC(=O)/C=C/C=C/C=C/C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
OXER1 Q8TDS5 3/20 0.35
TRPA1 O75762 1/20 0.31
IAPP P10997 2/20 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
SCHEMBL4483304 0.81
SCHEMBL4483305 0.81
SCHEMBL17867303 0.76 ACHE (0.35) ALDH1A1TSHRACHEBACE1OXER1
SCHEMBL17867304 0.76 ACHE (0.35) ALDH1A1TSHRACHEBACE1OXER1
SCHEMBL13611745 0.75 ALDH1A1 (0.40) ALDH1A1TSHROXER1TRPA1IAPP
SCHEMBL13953154 0.75 ALDH1A1 (0.40) ALDH1A1TSHROXER1TRPA1IAPP
SCHEMBL13611712 0.75 ALDH1A1 (0.40) ALDH1A1TSHROXER1TRPA1IAPP
SCHEMBL6242251 0.75 TRPA1 (0.48) ALDH1A1TSHROXER1TRPA1IAPP
SCHEMBL13604738 0.75 PPARG (0.34) ALDH1A1ACHEBACE1
SCHEMBL6565310 0.74 MEN1 (0.33) TSHR

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 ALDH1A1 495/4885TSHR 4175/4885ACHE 484/4885

“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.