SCHEMBL3134704

SCHEMBL3134704

C[C@H]1/C(=C\C(=O)OCCN(C)C)CC[C@H]2[C@H]1[C@@H](O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATP12A P54707 5/20 0.69
ATP1A1 P05023 4/20 0.69
ATP1B1 P05026 4/20 0.69
ATP1A3 P13637 4/20 0.69
ATP1B2 P14415 4/20 0.69
ATP1A2 P50993 4/20 0.69
ATP1B3 P54709 4/20 0.69
FXYD2 P54710 4/20 0.69
ATP1A4 Q13733 4/20 0.69
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
RORC P51449 4/20 0.34
HSD11B1 P28845 2/20 0.31
HSD11B2 P80365 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31

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
Cassaine SCHEMBL4167835 0.82 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Cassaine SCHEMBL4167834 0.82 ATP12A (1.00) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL31237867 0.79 ATP1A1 (0.47) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
Cassaine SCHEMBL7805406 0.79 ATP12A (0.93) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL11892867 0.77 ATP12A (0.84) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL677461 0.77 ATP12A (0.84) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL5087938 0.74 ATP12A (0.81) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL30714764 0.73 ATP1A1 (0.41) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL309088 0.73 ATP1A1 (0.41) ATP12AATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL309087 0.73 ATP1A1 (0.41) ATP12AATP1A1ATP1B1ATP1A3ATP1B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104150808-B For improving the method and additive of construction composition and substrate adherence 阿克佐诺贝尔化学国际公司 2017-11-17 CN disclosed
US-9353005-B2 Process for production of powder redispersible in water and use thereof AKZO NOBEL N.V. (NL) 2016-05-31 US disclosed
CN-102781869-B Method and additive for improving adhesion of building compositions to substrates AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2015-08-05 CN disclosed
CN-104150808-A Process and additive to improve adhesion of building compositions to substrates AKZO NOBEL CHEMICALS INT BV 2014-11-19 CN disclosed
US-20140316029-A1 PROCESS FOR PRODUCTION OF POWDER REDISPERSIBLE IN WATER AND USE THEREOF AKZO NOBEL N.V. (NL) 2014-10-23 US disclosed
CN-101272994-B Powder redispersible in water, process for production thereof and use thereof ELOTEX AG 2013-04-03 CN disclosed
CN-102781869-A Method and additive for improving adhesion of building compositions to substrates AKZO NOBEL CHEMICALS INT BV 2012-11-14 CN disclosed
US-20120264861-A1 POWDER REDISPERSIBLE IN WATER, PROCESS FOR PRODUCTION THEREOF AND USE THEREOF AKZO NOBEL N.V. (NL) 2012-10-18 US disclosed
WO-2010009091-A2 ANTI-INFLAMMATORY AND ANTI-ALLERGY EXTRACTS FROM NETTLE HERBALSCIENCE GROUP, LLC (US) 2010-01-21 WO disclosed
US-20100009927-A1 Anti-Inflammatory and Anti-Allergy Extracts from Nettle HERBALSCIENCE GROUP LLC (US) 2010-01-14 US disclosed
EP-1005324-B1 COMPOSITIONS FOR DELIVERY OF BIOLOGICAL AGENTS AND METHODS FOR THE PREPARATION THEREOF UNIV NEBRASKA (US) 2005-03-30 EP disclosed
US-6831101-B2 Compounds that bind to one or more RANTES receptors for treatment of chemokine mediated disease states CHEMOKINE THERAPEUTICS CORPORATION (CA) 2004-12-14 US disclosed
US-20030229029-A1 Cardiac glycosides for treating muscle pain and spasm LAUDADIO CHARLES (US) 2003-12-11 US disclosed
US-20030125380-A1 Tricyclic rantes receptor ligands CHEMOKINE THERAPEUTICS CORPORATION (CA) 2003-07-03 US disclosed
US-20030092674-A1 Tricyclic rantes receptor ligands CHEMOKINE THERAPEUTICS CORPORATION (CA) 2003-05-15 US disclosed
WO-2002102365-A1 TRICYCLIC TERPENES OF THE FAMILY OF ABIETIC ACID AS RANTES RECEPTOR LIGANDS CHEMOKINE THERAPEUTICS CORPORATION (CA) 2002-12-27 WO disclosed
EP-1005324-A4 COMPOSITIONS FOR DELIVERY OF BIOLOGICAL AGENTS AND METHODS FOR THE PREPARATION THEREOF UNIV NEBRASKA (US) 2001-06-06 EP disclosed
EP-1005324-A1 COMPOSITIONS FOR DELIVERY OF BIOLOGICAL AGENTS AND METHODS FOR THE PREPARATION THEREOF UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 2000-06-07 EP disclosed
WO-1998056348-A1 COMPOSITIONS FOR DELIVERY OF BIOLOGICAL AGENTS AND METHODS FOR THE PREPARATION THEREOF UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1998-12-17 WO disclosed
WO-1998056334-A1 COMPOSITIONS FOR DELIVERY OF BIOLOGICAL AGENTS AND METHODS FOR THE PREPARATION THEREOF UNIVERSITY OF NEBRASKA BOARD OF REGENTS (US) 1998-12-17 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-20030125380-A1 Tricyclic rantes receptor ligands CCR5, CCR1, CCL11 ATP12A 4805/4885ATP1A1 3992/4885ATP1B1 4547/4885
US-20030092674-A1 Tricyclic rantes receptor ligands CCR5, CCR1, CCL11 ATP12A 4805/4885ATP1A1 3992/4885ATP1B1 4547/4885

“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.