SCHEMBL5722693

SCHEMBL5722693

CCOC(=O)C(CC1Cc2cc(OC)ccc2O1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
TP53 P04637 5/20 0.43
MAPT P10636 2/20 0.43
MTNR1A P48039 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLS O94925 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL3905377 0.81 HRH3 (0.51) HRH3GABRA1GABRB2TP53MAPT
SCHEMBL9628115 0.77 HRH3 (0.57) HRH3GABRA1GABRB2TP53MTNR1A
SCHEMBL9458993 0.77 HRH3 (0.47) HRH3GABRA1GABRB2TP53MAPT
SCHEMBL10257134 0.76 HRH3 (0.60) HRH3GABRA1GABRB2TP53MAPT
SCHEMBL17761389 0.76 HRH3 (0.56) HRH3GABRA1GABRB2TP53MAPT
SCHEMBL13802286 0.75 FFAR1 (0.56) HRH3GABRA1GABRB2MTNR1AGLS
SCHEMBL9629907 0.75 MTNR1A (0.52) HRH3GABRA1GABRB2TP53MTNR1A
SCHEMBL9117533 0.74 HRH3 (0.63) HRH3GABRA1GABRB2TP53MTNR1A
SCHEMBL10256487 0.73 HRH3 (0.59) HRH3GABRA1GABRB2TP53MTNR1A
Methylamine SCHEMBL10700886 0.73 HRH3 (0.59) HRH3GABRA1GABRB2MTNR1AGLS

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-0841925-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2006-10-04 EP disclosed
US-6482956-B2 FOR THERAPY OF CARDIOVASCULAR, CEREBROVASCULAR, RESPIRATORY AND RENAL DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-11-19 US disclosed
US-20020072614-A1 Endothelin receptor antagonists LUENGO JUAN IGNACIO (US) 2002-06-13 US disclosed
US-6353116-B1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-03-05 US disclosed
EP-0841925-A4 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-17 EP disclosed
US-6096897-A NOVEL 1,2,3-TRIAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2000-08-01 US disclosed
US-5969151-A PYRAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-19 US disclosed
US-5958968-A CARDIOVASCULAR DISORDERS; KIDNEY DIEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-09-28 US disclosed
EP-0841925-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 EP disclosed
WO-1997004772-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 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-20020072614-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 HRH3 542/4885GABRA1 161/4885GABRB2 194/4885

“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.