SCHEMBL5046410

SCHEMBL5046410

O=C(O)C(I)CCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ TRPA1 O75762 1/20 0.54
▸ S1PR2 O95136 1/20 0.49
▸ S1PR4 O95977 1/20 0.49
▸ S1PR1 P21453 1/20 0.49
▸ S1PR3 Q99500 1/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL3409877 1.00 MAPT (0.55) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL3974022 0.98 MAPT (0.52) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL4060725 0.85 CNR2 (0.49) HDAC1HDAC2HDAC3MAPK1ADRA1A
SCHEMBL29792919 0.83 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL11294877 0.83 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL11291692 0.83 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL7102236 0.83 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL28554084 0.83 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL11288235 0.83 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL5511989 0.83 MAPT (0.60) MAPTRXFP1TRPA1S1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097388-A1 SYSTEMS AND METHODS FOR MONITORING FATTY ACID METABOLISM ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-05-10 — — WO claimed
WO-2024097388-A1 SYSTEMS AND METHODS FOR MONITORING FATTY ACID METABOLISM ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-05-10 — — WO disclosed
US-7402405-B2 Methods and kits for diagnosing a pancreatic-based fat malabsorption disorder THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2008-07-22 — — US disclosed
EP-1404861-A4 METHODS AND KITS FOR DIAGNOSING A PANCREATIC-BASED FAT MALABSORPTION DISORDER PHILADELPHIA CHILDREN HOSPITAL (US) 2006-02-01 — — EP disclosed
EP-1404861-A1 METHODS AND KITS FOR DIAGNOSING A PANCREATIC-BASED FAT MALABSORPTION DISORDER THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2004-04-07 — — EP disclosed
US-20030086869-A1 Methods and kits for diagnosing a pancreatic-based fat malabsorption disorder THE CHILDREN'S HOSPITAL OF PHILADELPHIA 2003-05-08 — — US disclosed
WO-2002099123-A1 METHODS AND KITS FOR DIAGNOSING A PANCREATIC-BASED FAT MALABSORPTION DISORDER THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2002-12-12 — — 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-20030086869-A1 Methods and kits for diagnosing a pancreatic-based fat malabsorption disorder PNLIP, FABP2, FABP6 MAPT 4747/4885RXFP1 868/4885TRPA1 4832/4885

“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.

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