SCHEMBL4169813

SCHEMBL4169813

BrCCc1ccc(OCCOCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ LTA4H P09960 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ FFAR1 O14842 3/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ BCHE P06276 1/20 0.45

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
SCHEMBL5427137 0.90 TDP1 (0.64) TDP1L3MBTL1LTA4HEPHX2FFAR1
SCHEMBL7635703 0.85 TSHR (0.48) L3MBTL1LTA4HNPC1RAB9ABCHE
SCHEMBL3106481 0.84 LTA4H (0.64) TDP1L3MBTL1LTA4HEPHX2RAB9A
SCHEMBL16594362 0.84 TSHR (0.56) TDP1L3MBTL1LTA4HNPC1RAB9A
SCHEMBL4167946 0.84 LTA4H (0.59) TDP1L3MBTL1LTA4HEPHX2NPC1
SCHEMBL3120643 0.83 TSHR (0.50) L3MBTL1NPC1RAB9A
SCHEMBL5677947 0.83 LMNA (0.62) L3MBTL1LTA4HNPC1RAB9ABCHE
SCHEMBL903883 0.82 TSHR (0.58) L3MBTL1NPC1RAB9A
SCHEMBL9478520 0.82 KCNA3 (0.56) LTA4HFFAR1BCHE
SCHEMBL10713484 0.81 TSHR (0.54) TDP1L3MBTL1LTA4HNPC1RAB9A

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
US-20090105309-A1 Medicinal Compounds GLAXO GROUP LIMITED (GB) 2009-04-23 — — US disclosed
EP-1675823-B1 PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-07-23 — — EP disclosed
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 — — EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 — — US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 — — US disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 — — EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 — — 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD TDP1 3436/4885L3MBTL1 3752/4885LTA4H 504/4885
US-20090105309-A1 Medicinal Compounds ADRB2, ADRB1, ADRB3 TDP1 4766/4885L3MBTL1 4279/4885LTA4H 94/4885

“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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