SCHEMBL79047

SCHEMBL79047

CC(C)(C)c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
CA2 P00918 1/20 0.36
NFE2L2 Q16236 5/20 0.36
KCNH2 Q12809 2/20 0.33
MAT2A P31153 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 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
SCHEMBL803441 0.85 ACHE (0.50) ACHECES2CES1CA2NFE2L2
SCHEMBL15132132 0.85 CA2 (0.46) ACHECES2CES1CA2NFE2L2
SCHEMBL3106196 0.83 CES2 (0.34) ACHECES2CES1CA2NFE2L2
SCHEMBL14131096 0.83 KMT2A (0.33) ACHECES2CES1CA2NFE2L2
SCHEMBL21718754 0.83 ACHE (0.32) ACHECES2CES1CA2NFE2L2
SCHEMBL802985 0.83 GAA (0.41) KCNH2MAT2AGAAMAPTRAB9A
SCHEMBL279180 0.83 CYP3A4 (0.39) ACHECES2CES1CA2NFE2L2
SCHEMBL2492055 0.83 TRPA1 (0.44) ACHECES2CES1CA2MAPT
SCHEMBL8136571 0.81 HSD11B1 (0.39) CA2GAAHDAC6GABRA1GABRB2
SCHEMBL17117581 0.80 ACHE (0.38) ACHECES2CES1NFE2L2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-11912822-B2 Process of manufacturing polyols DOW GLOBAL TECHNOLOGIES LLC (US) 2024-02-27 US disclosed
US-11912822-B2 Process of manufacturing polyols DOW GLOBAL TECHNOLOGIES LLC (US) 2024-02-27 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 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-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7214668-B2 Phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. (US) 2007-05-08 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ACHE 90/4885CES2 645/4885CES1 2248/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD ACHE 1622/4885CES2 769/4885CES1 805/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 ACHE 716/4885CES2 515/4885CES1 437/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE ACHE 3/4885CES2 184/4885CES1 276/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ACHE 90/4885CES2 645/4885CES1 2248/4885
US-11912822-B2 Process of manufacturing polyols MRPL21, RER1, PCBP1 ACHE 4528/4885CES2 906/4885CES1 837/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ACHE 90/4885CES2 645/4885CES1 2248/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C ACHE 698/4885CES2 1032/4885CES1 2268/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 ACHE 2837/4885CES2 1691/4885CES1 1988/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ACHE 230/4885CES2 722/4885CES1 1830/4885
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 ACHE 4513/4885CES2 4437/4885CES1 4388/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 ACHE 716/4885CES2 515/4885CES1 437/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 ACHE 3431/4885CES2 3427/4885CES1 1422/4885

“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.