SCHEMBL6964908

SCHEMBL6964908

CC(C)(C)Cc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
NR3C1 P04150 1/20 0.44
NR3C2 P08235 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
IDH1 O75874 1/20 0.42
FOLH1 Q04609 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
MEP1A Q16819 1/20 0.42
MEP1B Q16820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
ATM Q13315 1/20 0.41
ENPP2 Q13822 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TRPA1 O75762 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 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
SCHEMBL6109806 0.85 SLC6A2 (0.52) GLANR3C1NR3C2CYP19A1CYP11B1
SCHEMBL13788312 0.84 GLA (0.46) GLANR3C1NR3C2CYP19A1CYP11B1
SCHEMBL15332987 0.82 GLA (0.49) GLANR3C1NR3C2CYP19A1CYP11B1
SCHEMBL23964496 0.82 ATM (0.37) GLANR3C1NR3C2CYP19A1CYP11B1
SCHEMBL11910303 0.81 GLA (0.47) GLACYP19A1CYP11B1CYP11B2HRH3
SCHEMBL23621741 0.81 KIF11 (0.47) CYP11B2HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL5228917 0.81 L3MBTL1 (0.48) GLANR3C1NR3C2CYP19A1CYP11B1
SCHEMBL17103543 0.81 ESR1 (0.36) GLANR3C1NR3C2HRH3IDH1
SCHEMBL12070643 0.80 GLA (0.43) GLANR3C1NR3C2CYP19A1CYP11B1
SCHEMBL6110413 0.80 LMNA (0.47) GLAIDH1FOLH1MRGPRX4MEP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-07-18 US disclosed
US-20240074309-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS Madera Therapeutics, LLC 2023-10-26 US disclosed
US-20230265063-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-24 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-11584773-B2 Phosphorous protecting groups and methods of preparation and use thereof AGILENT TECHNOLOGIES, INC. (US) 2023-02-21 US disclosed
US-20230002369-A1 Bcl-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-01-05 US disclosed
EP-4019520-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2022-06-29 EP disclosed
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
US-7319163-B2 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2008-01-15 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
US-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-10-25 US disclosed
WO-2007091046-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 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 (13 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-20070249664-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 GLA 2458/4885NR3C1 899/4885NR3C2 755/4885
US-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 GLA 1597/4885NR3C1 40/4885NR3C2 7/4885
US-20230265063-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME PIEZO1, OR10J3, OR51E2 GLA 3046/4885NR3C1 2355/4885NR3C2 1481/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 GLA 375/4885NR3C1 4502/4885NR3C2 4595/4885
US-20240074309-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, TMEM109, USE1 GLA 3819/4885NR3C1 3605/4885NR3C2 3625/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 GLA 3636/4885NR3C1 898/4885NR3C2 469/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 GLA 2421/4885NR3C1 4070/4885NR3C2 2205/4885
US-11584773-B2 Phosphorous protecting groups and methods of preparation and use thereof POLN, POLRMT, NUDT21 GLA 2235/4885NR3C1 4355/4885NR3C2 4503/4885
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS CLPP, PRCP, PREP GLA 371/4885NR3C1 3521/4885NR3C2 2475/4885
US-20230002369-A1 Bcl-2 INHIBITORS BCL2, BCL2L1, BCL2L2 GLA 2497/4885NR3C1 2691/4885NR3C2 2548/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR GLA 810/4885NR3C1 75/4885NR3C2 131/4885
US-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS AOX1, AOC2, OSTC GLA 3184/4885NR3C1 1496/4885NR3C2 790/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 GLA 2458/4885NR3C1 899/4885NR3C2 755/4885

“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.