SCHEMBL50546

SCHEMBL50546

COc1ccc2c(OC)c(OC)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
TDO2 P48775 2/20 0.56
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
TUBB1 Q9H4B7 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL7129654 0.86 IDO1 (0.54) IDO1TDO2CA12CA1CA2
SCHEMBL19612382 0.83 CYP1A2 (0.50) IDO1TDO2TUBB4ATUBBTUBA3C
SCHEMBL27902298 0.81 CYP2A6 (0.65) CA12CA1CA2CA7CA9
SCHEMBL30503987 0.81 CA12 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8073579 0.81 CYP1A2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4194130 0.81 CA12 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9205290 0.81 TDO2 (0.47) IDO1TDO2TUBB4ATUBBTUBA3C
SCHEMBL23640316 0.79 CYP19A1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28273154 0.79 CA12 (0.50) IDO1TDO2TUBB4ATUBBTUBA3C
SCHEMBL24302588 0.79 CA12 (0.50) IDO1TDO2TUBB4ATUBBTUBA3C

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653210-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. Lundbeck A/S (DK) 2020-05-20 EP disclosed
EP-2400967-B1 TREATMENT OF DYSKINESIA RELATED DISORDERS H LUNDBECK AS (DK) 2019-08-14 EP disclosed
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed
EP-3242897-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF C/o Canon Kabushiki Kaisha (JP) 2017-11-15 EP disclosed
CN-107108774-A Ultra-violet solidified fluid composition, the uv-curing type ink jet ink using it, ultraviolet hardening wet type electrophotographic liquid developer, ultraviolet hardening electrostatic inkjet ink and image forming method 佳能株式会社 2017-08-29 CN disclosed
WO-2016111380-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2016-07-14 WO disclosed
EP-3009437-A1 A CATECHOLAMINE DERIVATIVE USEFUL FOR THE TREATMENT OF PARKINSON'S DISEASE H. Lundbeck A/S (DK) 2016-04-20 EP disclosed
EP-3009437-A1 A CATECHOLAMINE DERIVATIVE USEFUL FOR THE TREATMENT OF PARKINSON'S DISEASE H. Lundbeck A/S (DK) 2016-04-20 EP disclosed
EP-2197883-B1 Catecholamine derivative useful for the treatment of parkinson's disease LUNDBECK & CO AS H (DK) 2015-11-18 EP disclosed
EP-2197883-B1 Catecholamine derivative useful for the treatment of parkinson's disease LUNDBECK & CO AS H (DK) 2015-11-18 EP disclosed
WO-2009026935-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 WO disclosed
WO-2009026935-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 WO disclosed
WO-2009026934-A1 CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE H. LUNDBECK A/S (DK) 2009-03-05 WO disclosed
WO-2009026934-A1 CATECHOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF PARKINSON' S DISEASE H. LUNDBECK A/S (DK) 2009-03-05 WO disclosed
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 US disclosed
US-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF H. LUNDBECK A/S (DK) 2009-03-05 US disclosed
US-4584293-A LOWER HEART RATE AND OXYGEN REQUIREMENT DR. KARL THOMAE GMBH (DE) 1986-04-22 US disclosed
EP-0161604-A2 Aminotetralin derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-11-21 EP disclosed
US-4163063-A MUSCLE RELAXANTS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1979-07-31 US disclosed
US-4064271-A Emetic tetralones and the use thereof for inducing regurgitation BURROUGHS WELLCOME CO. (US) 1977-12-20 US 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-20090062324-A1 CATECHOLAMINE DERIVATIVES AND PRODRUGS THEREOF COMT, ADRB3, ADRB1 IDO1 566/4885TDO2 243/4885TUBB4A 1666/4885

“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.