SCHEMBL13604759

SCHEMBL13604759

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.40
CNR1 P21554 4/20 0.40
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
FPR2 P25090 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CMKLR1 Q99788 1/20 0.31
FAAH O00519 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
SCHEMBL13604722 0.98 CNR2 (0.38) CNR2CNR1PPARGPPARDPPARA
SCHEMBL1734717 0.83
SCHEMBL15080406 0.83
SCHEMBL160033 0.83
SCHEMBL13604837 0.83 CNR2 (0.38) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4407971 0.82 PPARA (0.46) CNR2CNR1PPARGPPARDPPARA
SCHEMBL6866865 0.82 PPARA (0.46) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4407967 0.82 PPARA (0.46) CNR2CNR1PPARGPPARDPPARA
SCHEMBL5568055 0.82 PPARA (0.46) CNR2CNR1PPARGPPARDPPARA
SCHEMBL13604826 0.80 CNR2 (0.36) CNR2CNR1PPARGPPARDPPARA

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-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
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
WO-2008022462-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2008-02-28 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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 CNR2 725/4885CNR1 433/4885PPARG 356/4885

“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.