SCHEMBL9610040

SCHEMBL9610040

C(#Cc1ccc(-c2ccc(C#Cc3ccncc3)cc2)cc1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
HDAC8 Q9BY41 1/20 0.48
FFAR1 O14842 1/20 0.47
GRM5 P41594 2/20 0.45
NOTUM Q6P988 1/20 0.43
KIF11 P52732 2/20 0.42
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
PDK1 Q15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
QDPR P09417 1/20 0.39
APP P05067 1/20 0.39
CYP11B2 P19099 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
SCHEMBL13219274 0.97 MAPT (0.58) MAPTLMNAHDAC8FFAR1GRM5
SCHEMBL30718530 0.94 MAPT (0.61) MAPTLMNAHDAC8FFAR1GRM5
SCHEMBL7261719 0.93 MAPT (0.46) MAPTLMNAHDAC8FFAR1GRM5
SCHEMBL1649302 0.91 HDAC8 (0.55) MAPTLMNAHDAC8FFAR1GRM5
SCHEMBL9928719 0.91 NOTUM (0.61) MAPTLMNAFFAR1GRM5NOTUM
SCHEMBL9610050 0.91 APP (0.55) MAPTLMNAFFAR1GRM5NOTUM
SCHEMBL1820120 0.88 HDAC8 (0.58) MAPTLMNAHDAC8FFAR1GRM5
SCHEMBL13900784 0.85 NOTUM (0.61) MAPTLMNAGRM5NOTUMSMN1; SMN2
SCHEMBL21652619 0.82 NAPRT (0.57) FFAR1SMN1; SMN2
SCHEMBL17224548 0.81 APP (0.63) MAPTHDAC8FFAR1GRM5NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143425-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA GENESIS SYSTEMS LLC 2023-05-11 US disclosed
US-20230143425-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA GENESIS SYSTEMS LLC 2023-05-11 US disclosed
EP-3854471-A1 IMPROVEMENTS RELATING TO WATER PURIFICATION Molecule RND Limited (IE) 2021-07-28 EP disclosed
EP-3854475-A1 IMPROVEMENTS RELATED TO SORBENT MEDIA Molecule RND Limited (IE) 2021-07-28 EP disclosed
US-20210162338-A1 WATER CAPTURE THE UNIVERSITY OF LIMERICK (IE) 2021-06-03 US disclosed
US-20200030737-A1 WATER CAPTURE METHODS, DEVICES, AND COMPOUNDS UNIV LIMERICK (IE) 2020-01-30 US disclosed
EP-3599019-A1 IMPROVEMENTS RELATING TO WATER CAPTURE University of Limerick (IE) 2020-01-29 EP disclosed
US-9169208-B2 Aromatic and aromatic/heteroaromatic molecular structures with controllable electron conducting properties E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-27 US disclosed
US-9169208-B2 Aromatic and aromatic/heteroaromatic molecular structures with controllable electron conducting properties E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-27 US disclosed
US-20120135249-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-31 US disclosed
US-7638632-B2 4-Ethynyl (1,2-dicyanobenzene)-4'-Ethynylphenyl-1(4,5-dicyanobenzene); 1,4-Bis(4-pyridyl)butadiyne; 4-ethynyl(pyridine)-4'-ethynylnaphthalene-1-pyridine; self-assembled mono-, multilayers/ supramolecular objects; three-terminal devices; logic switches;nanoelectronic ; computers; wires; dielectrics E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-29 US disclosed
US-7638632-B2 4-Ethynyl (1,2-dicyanobenzene)-4'-Ethynylphenyl-1(4,5-dicyanobenzene); 1,4-Bis(4-pyridyl)butadiyne; 4-ethynyl(pyridine)-4'-ethynylnaphthalene-1-pyridine; self-assembled mono-, multilayers/ supramolecular objects; three-terminal devices; logic switches;nanoelectronic ; computers; wires; dielectrics E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-29 US disclosed
US-20090270627-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES FRENCH ROGER HARQUAIL 2009-10-29 US disclosed
US-20090270627-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES FRENCH ROGER HARQUAIL 2009-10-29 US disclosed
US-20090131669-A1 Synthetic Nanopores for DNA Sequencing THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-05-21 US disclosed
US-20090131669-A1 Synthetic Nanopores for DNA Sequencing THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-05-21 US disclosed
US-20090131642-A1 Synthetic Nanopores for DNA Sequencing THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS PREPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-05-21 US disclosed
US-20090131642-A1 Synthetic Nanopores for DNA Sequencing THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS PREPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-05-21 US disclosed
US-7504505-B2 Synthetic nanopores for DNA sequencing THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-17 US disclosed
US-7504505-B2 Synthetic nanopores for DNA sequencing THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-17 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 (5 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-20090131669-A1 Synthetic Nanopores for DNA Sequencing POLN, POLRMT, PARN MAPT 2911/4885LMNA 1132/4885HDAC8 2801/4885
US-20200030737-A1 WATER CAPTURE METHODS, DEVICES, AND COMPOUNDS AQP1, AQP3, AQP4 MAPT 599/4885LMNA 1494/4885HDAC8 4503/4885
US-20120135249-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT MAPT 715/4885LMNA 2249/4885HDAC8 2991/4885
US-20090270627-A1 AROMATIC AND AROMATIC/HETEROAROMATIC MOLECULAR STRUCTURES WITH CONTROLLABLE ELECTRON CONDUCTING PROPERTIES AHR, TYR, ARNT MAPT 715/4885LMNA 2249/4885HDAC8 2991/4885
US-20090131642-A1 Synthetic Nanopores for DNA Sequencing POLN, POLRMT, PARN MAPT 2911/4885LMNA 1132/4885HDAC8 2801/4885

“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.