SCHEMBL10035461

SCHEMBL10035461

Cc1ccc(C#Cc2ccc(N)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.74
ACHE P22303 2/20 0.68
MAPT P10636 3/20 0.61
CA12 O43570 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
CA1 P00915 2/20 0.54
TEAD4 Q15561 1/20 0.52
GRM5 P41594 2/20 0.52
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
KCNH2 Q12809 1/20 0.48
CYP2A6 P11509 1/20 0.46
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL29306026 0.93 APP (0.64) APPACHEMAPTCA12CA2
SCHEMBL12064267 0.90 ACHE (0.62) APPACHEMAPTCA12CA2
SCHEMBL9611200 0.86 APP (1.00) APPACHEMAPTALDH1A1TDP1
SCHEMBL864945 0.86 APP (1.00) APPACHEMAPTALDH1A1TDP1
SCHEMBL4457730 0.86 GRM5 (0.64) APPACHEMAPTCA12CA2
SCHEMBL9445826 0.86 GRM5 (0.64) APPACHEMAPTCA12CA2
SCHEMBL9715647 0.83 GRM5 (0.61) APPACHEMAPTCA12CA2
SCHEMBL8469646 0.83 ACHE (1.00) ACHEMAPTCA2CA9CA1
SCHEMBL11887 0.83
SCHEMBL25490701 0.82 APP (0.50) APPACHEMAPTCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150908-A1 LIQUID CRYSTAL COMPOSITION AND PREPARATION METHOD THEREFOR, AND DISPLAY PANEL 京东方科技集团股份有限公司 2023-08-17 WO disclosed
US-11715607-B2 Graphene macro-assembly-fullerene composite for electrical energy storage LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2023-08-01 US disclosed
US-11715607-B2 Graphene macro-assembly-fullerene composite for electrical energy storage LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2023-08-01 US disclosed
US-20220005651-A1 GRAPHENE MACRO-ASSEMBLY-FULLERENE COMPOSITE FOR ELECTRICAL ENERGY STORAGE LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2022-01-06 US disclosed
US-20180118574-A1 GRAPHENE MACRO-ASSEMBLY-FULLERENE COMPOSITE FOR ELECTRICAL ENERGY STORAGE LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-05-03 US disclosed
US-20180118574-A1 GRAPHENE MACRO-ASSEMBLY-FULLERENE COMPOSITE FOR ELECTRICAL ENERGY STORAGE LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-05-03 US disclosed
US-9870871-B1 Graphene macro-assembly-fullerene composite for electrical energy storage LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-16 US disclosed
US-9870871-B1 Graphene macro-assembly-fullerene composite for electrical energy storage LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2018-01-16 US disclosed
US-8106142-B2 Polyacetylinic oligomers THE BOEING COMPANY (US) 2012-01-31 US disclosed
WO-2010114243-A2 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-10-07 WO disclosed
US-20100204485-A1 POLYACETYLINIC OLIGOMERS THE BOEING COMPANY 2010-08-12 US disclosed
US-7381533-B2 Electrodes linked via oligomers to nucleic acids CLINICAL MICRO SENSORS, INC. (US) 2008-06-03 US disclosed
US-7176146-B2 Method of making a molecule-surface interface WILLIAM MARSH RICE UNIVERSITY (US) 2007-02-13 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-20100204485-A1 POLYACETYLINIC OLIGOMERS AADAC, ACMSD, ECPAS APP 3468/4885ACHE 4535/4885MAPT 1019/4885

“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.