SCHEMBL4348244

SCHEMBL4348244

COc1ccc(-c2ccc(OCCN3CCCC3C(=O)O)c(Sc3cccc(F)c3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 1.00
LTA4H P09960 2/20 0.42
MCHR1 Q99705 1/20 0.40
GYS1 P13807 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
KCNQ1 P51787 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
SCHEMBL4348242 1.00 SLC6A9 (1.00) SLC6A9LTA4HMCHR1GYS1ITGB2
Hydrochloric Acid SCHEMBL4344561 0.99 SLC6A9 (0.98) SLC6A9LTA4HMCHR1GYS1ITGB2
Hydrochloric Acid SCHEMBL4344557 0.99 SLC6A9 (0.98) SLC6A9LTA4HMCHR1GYS1ITGB2
SCHEMBL4338281 0.92 SLC6A9 (1.00) SLC6A9
SCHEMBL4338278 0.92 SLC6A9 (1.00) SLC6A9
Hydrochloric Acid SCHEMBL4342585 0.91 SLC6A9 (0.98) SLC6A9
Hydrochloric Acid SCHEMBL4342592 0.91 SLC6A9 (0.98) SLC6A9
SCHEMBL4344586 0.88 SLC6A9 (0.84) SLC6A9
SCHEMBL4344591 0.88 SLC6A9 (0.84) SLC6A9
Hydrochloric Acid SCHEMBL4342642 0.87 SLC6A9 (0.83) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US claimed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US claimed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP claimed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 WO claimed
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP disclosed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT SLC6A9 2305/4885LTA4H 3640/4885MCHR1 868/4885

“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.