SCHEMBL5212249

SCHEMBL5212249

CCOC(=O)c1cccc2c1OCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.54
WNT3A P56704 3/20 0.54
TSHR P16473 2/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47

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
SCHEMBL10175067 0.89 HDAC3 (0.51) CTNNB1WNT3ATSHRHDAC3HDAC4
SCHEMBL341128 0.88 MGAM (0.60) TSHRL3MBTL1NPSR1ALDH1A1HSD17B10
SCHEMBL30583856 0.88 MGAM (0.60) TSHRL3MBTL1NPSR1ALDH1A1HSD17B10
SCHEMBL11985714 0.84 CTNNB1 (0.51) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL2895789 0.83 CTNNB1 (0.58) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL28753366 0.80 HDAC3 (0.63) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL12599573 0.78 TSHR (0.49) TSHRL3MBTL1NPSR1ALDH1A1HSD17B10
SCHEMBL1612190 0.77 TSHR (0.49) TSHRL3MBTL1NPSR1ALDH1A1HSD17B10
SCHEMBL19973511 0.77 TSHR (0.49) TSHRL3MBTL1NPSR1ALDH1A1HSD17B10
SCHEMBL6677783 0.77 TSHR (0.49) TSHRL3MBTL1NPSR1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112270-B1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1137644-B9 BENZOFURAN DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-03-17 EP disclosed
EP-1137644-B1 BENZOFURAN DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2003-09-10 EP disclosed
US-6492374-B2 AN ALKYL AMINE SUBSTITUTED ISOBENZOFURAN COMPOUND USEFUL FOR CERTAIN PSYCHIATRIC AND NEUROLOGICAL DISORDERS; POTENTLY BINDING TO THE 5-HT1A RECEPTOR H. LUNDBECK A/S (DK) 2002-12-10 US disclosed
US-20020032205-A1 Benzofuran derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-03-14 US disclosed
EP-1137644-A1 BENZOFURAN DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2001-10-04 EP disclosed
EP-1112270-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-07-04 EP disclosed
US-6172062-B1 ANTISEROTONIN AGENTS; GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SYNTEX (USA) LLC 2001-01-09 US disclosed
WO-2000034263-A1 BENZOFURAN DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-06-15 WO disclosed
WO-2000015636-A1 DIHYDROBENZODIOXINE CARBOXAMIDE AND KETONE DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-03-23 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-20020032205-A1 Benzofuran derivatives, their preparation and use HTR1F, HTR1A, HTR1D CTNNB1 1142/4885WNT3A 1957/4885TSHR 1040/4885

“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.