Sugi Predict

Sugi Predict / Compounds / SCHEMBL6511512

SCHEMBL6511512

SCHEMBL6511512

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.77
▸ CNR2 P34972 3/20 0.77
▸ MAPT P10636 4/20 0.77
▸ HPGD P15428 3/20 0.77
▸ ALOX12 P18054 2/20 0.77
▸ MEN1 O00255 2/20 0.77
▸ ALDH1A1 P00352 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ TRPV1 Q8NER1 2/20 0.77
▸ TRPM8 Q7Z2W7 2/20 0.77
▸ FAAH O00519 1/20 0.75
▸ EPHX2 P34913 1/20 0.74
▸ TP53 P04637 2/20 0.67
▸ CYP1A2 P05177 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ ALOX15 P16050 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.67

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
SCHEMBL6511518 1.00 CNR1 (0.77) CNR1CNR2MAPTHPGDALOX12
SCHEMBL22459196 0.94 CNR1 (0.76) CNR1CNR2MAPTHPGDALOX12
SCHEMBL10180472 0.89 EPHX2 (0.93) CNR1CNR2MAPTHPGDALOX12
SCHEMBL10180474 0.89 EPHX2 (0.93) CNR1CNR2MAPTHPGDALOX12
Arachidonoyl Dopamine SCHEMBL154052 0.87 MAPT (1.00) CNR1CNR2MAPTHPGDALOX12
Arachidonoyl Dopamine SCHEMBL29378117 0.87 MAPT (1.00) CNR1CNR2MAPTHPGDALOX12
Arachidonoyl Dopamine SCHEMBL154051 0.87 MAPT (1.00) CNR1CNR2MAPTHPGDALOX12
SCHEMBL2723955 0.87 HSD17B10 (0.70) CNR1MAPTHPGDALOX12MEN1
SCHEMBL14105471 0.86 FAAH (1.00) CNR1CNR2MAPTHPGDALOX12
SCHEMBL7195864 0.85 HSD17B10 (0.72) CNR1MAPTHPGDALOX12MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636335-B1 COMPOSITIONS AND METHODS FOR INHIBITING AN ISOFORM OF HUMAN MANGANESE SUPEROXIDE DISMUTASE MITO TEK LLC (US) 2012-07-11 — — EP claimed
WO-2003007875-A9 COMPOUNDS WITH ANALGESIC, ANTIPYRETIC AND/OR ANTI-INFLAMMATORY ACTIVITY HOEGESTAETT EDWARD (SE) 2005-03-10 — — WO disclosed
US-20040209959-A1 Congeners of acetaminophen and related compounds as substrates for fatty acid conjugation and their use in treatment of pain, fever and inflammation HOGESTATT EDWARD (SE) 2004-10-21 — — US disclosed
WO-2003008632-A1 FATTY ACID CONJUGATION AS A METHOD FOR SCREENING OF POTENTIALLY BIOACTIVE SUBSTANCES HOEGESTAETT EDWARD (SE) 2003-01-30 — — WO disclosed
WO-2003007875-A2 COMPOUNDS WITH ANALGESIC, ANTIPYRETIC AND/OR ANTI-INFLAMMATORY ACTIVITY HOEGESTAETT EDWARD (SE) 2003-01-30 — — 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-20040209959-A1 Congeners of acetaminophen and related compounds as substrates for fatty acid conjugation and their use in treatment of pain, fever and inflammation ACOX3, CYP2E1, CYP3A43 CNR1 498/4885CNR2 441/4885MAPT 3592/4885

“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.