SCHEMBL13611713

SCHEMBL13611713

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.36
CNR1 P21554 4/20 0.36
OXER1 Q8TDS5 4/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FAAH O00519 1/20 0.32
ALOX12 P18054 2/20 0.32
MAPT P10636 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
SCHEMBL11720586 0.85 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL11720593 0.85 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL13604722 0.80 CNR2 (0.38) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4407971 0.78 PPARA (0.46) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4407967 0.78 PPARA (0.46) CNR2CNR1PPARGPPARDPPARA
SCHEMBL6866865 0.78 PPARA (0.46) CNR2CNR1PPARGPPARDPPARA
SCHEMBL5568055 0.78 PPARA (0.46) CNR2CNR1PPARGPPARDPPARA
SCHEMBL13604759 0.78 CNR2 (0.40) CNR2CNR1PPARGPPARDPPARA
SCHEMBL13078110 0.78 OXER1 (0.47) CNR2CNR1OXER1PPARGPPARA
SCHEMBL26497469 0.77 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 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 CNR2 725/4885CNR1 433/4885OXER1 199/4885

“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.