SCHEMBL13611745

SCHEMBL13611745

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
CNR2 P34972 9/20 0.38
CNR1 P21554 7/20 0.38
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TRPA1 O75762 2/20 0.34
IAPP P10997 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
OXER1 Q8TDS5 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FFAR3 O14843 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL13953154 1.00 ALDH1A1 (0.40) ALDH1A1TSHRCNR2CNR1PPARG
SCHEMBL13611712 1.00 ALDH1A1 (0.40) ALDH1A1TSHRCNR2CNR1PPARG
SCHEMBL14385612 0.97
SCHEMBL3362126 0.97
SCHEMBL8507852 0.97
2,4-Hexadienal SCHEMBL7747542 0.82 ALDH1A1 (0.54) ALDH1A1TSHRCNR2CNR1TRPA1
2,4-Hexadienal SCHEMBL7747546 0.82 ALDH1A1 (0.54) ALDH1A1TSHRCNR2CNR1TRPA1
SCHEMBL3004060 0.81 TRPA1 (0.45) ALDH1A1CNR2CNR1TRPA1IAPP
SCHEMBL3007779 0.81 TRPA1 (0.45) ALDH1A1CNR2CNR1TRPA1IAPP
SCHEMBL3004063 0.81 TRPA1 (0.45) ALDH1A1CNR2CNR1TRPA1IAPP

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 4175/4885CNR2 725/4885

“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.