SCHEMBL4186579

SCHEMBL4186579

CCCCCC=CCC=CCC=CCC=CCCCCc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.45
TRPV1 Q8NER1 1/20 0.42
FAAH O00519 1/20 0.41
TERT O14746 1/20 0.41
PPARG P37231 3/20 0.39
FFAR1 O14842 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HSPD1 P10809 1/20 0.39
CYP19A1 P11511 1/20 0.39
FABP4 P15090 1/20 0.39

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
SCHEMBL27191621 0.95 TBXAS1 (0.50) TBXAS1TRPV1FAAHTERT
SCHEMBL18262818 0.95 TBXAS1 (0.50) TBXAS1TRPV1FAAHTERT
SCHEMBL18262817 0.95 TBXAS1 (0.50) TBXAS1TRPV1FAAHTERT
SCHEMBL89096 0.87 TBXAS1 (0.56) TBXAS1TERTALDH1A1CYP3A4CYP19A1
SCHEMBL18019076 0.86 TBXAS1 (0.43) TBXAS1TERTPPARGFFAR1PPARD
SCHEMBL23071637 0.85 TBXAS1 (0.59) TBXAS1TERTALDH1A1CYP3A4CYP19A1
SCHEMBL3497513 0.85 TBXAS1 (0.59) TBXAS1TERTALDH1A1CYP3A4CYP19A1
SCHEMBL2775177 0.85 TBXAS1 (0.59) TBXAS1TERTALDH1A1CYP3A4CYP19A1
SCHEMBL11277600 0.85 TBXAS1 (0.59) TBXAS1TERTALDH1A1CYP3A4CYP19A1
SCHEMBL535710 0.85 TBXAS1 (0.59) TBXAS1TERTALDH1A1CYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130302247-A1 SYNTHESIS OF FLUOROARACHIDONIC ACID AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-11-14 US disclosed
US-20090036410-A1 Structured Phospholipids BTG INTERNATIONAL LIMITED (GB) 2009-02-05 US disclosed
EP-1885377-A2 STRUCTURED PHOSPHOLIPIDS FOR TREATING AUTOIMMUNE AND NEURODEGENERATIVE DISEASES BTG INTERNATIONAL LIMITED (GB) 2008-02-13 EP disclosed
WO-2006056783-A2 STRUCTURED PHOSPHOLIPIDS FOR TREATING AUTOIMMUNE AND NEURODEGENERATIVE DISEASES BTG INTERNATIONAL LIMITED (GB) 2006-06-01 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 (2 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-20090036410-A1 Structured Phospholipids SGMS1, SGMS2, SMPD1 TBXAS1 575/4885TRPV1 4536/4885FAAH 92/4885
US-20130302247-A1 SYNTHESIS OF FLUOROARACHIDONIC ACID AND METHODS OF USE THEREOF ALOX15B, ALOX15, ALOX5 TBXAS1 96/4885TRPV1 2708/4885FAAH 8/4885

“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.