SCHEMBL9889145

SCHEMBL9889145

CC(C)(C)c1c(F)c(F)cc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DPP4 P27487 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL26547139 0.89 CA1 (0.31) CA1CA2CA4CA12CA7
SCHEMBL24610552 0.83 POLB (0.35)
Tert-Butylamine SCHEMBL6281054 0.79 CA1 (0.40) CA1CA2CA4CA12CA7
SCHEMBL12236814 0.78 CA1 (0.36) CA1CA2CA4CA12CA7
SCHEMBL18614947 0.78 CA1 (0.31) CA1CA2CA4CA12CA7
SCHEMBL6233289 0.78 ALDH1A1 (0.37) CA1CA2SMN1; SMN2TDP1CES2
SCHEMBL22468667 0.78 ALDH1A1 (0.37) CA1CA2SMN1; SMN2TDP1CES2
SCHEMBL24015393 0.78
SCHEMBL17998022 0.77
SCHEMBL10212111 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671976-B Non-conjugated organic polymer containing nitroxide free radical and ferrocene group, preparation method and application thereof, and composite thermoelectric film 香港理工大学深圳研究院 2023-12-19 CN disclosed
CN-114671976-B Non-conjugated organic polymer containing nitroxide free radical and ferrocene group, preparation method and application thereof, and composite thermoelectric film 香港理工大学深圳研究院 2023-12-19 CN disclosed
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-20230312803-A1 POLYURETHANE COMPOSITION DOW GLOBAL TECHNOLOGIES LLC 2023-10-05 US disclosed
US-20230312803-A1 POLYURETHANE COMPOSITION DOW GLOBAL TECHNOLOGIES LLC 2023-10-05 US disclosed
US-11672867-B2 Protein-templated self-assembly of a covalent polymer network for intracellular trafficking and traceless release UNIVERSITY OF MASSACHUSETTS (US) 2023-06-13 US disclosed
US-11672867-B2 Protein-templated self-assembly of a covalent polymer network for intracellular trafficking and traceless release UNIVERSITY OF MASSACHUSETTS (US) 2023-06-13 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
CN-114671976-A Non-conjugated organic polymer containing nitroxide free radicals and ferrocene groups, preparation method and application thereof, and composite thermoelectric film 香港理工大学深圳研究院 2022-06-28 CN disclosed
US-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2016-07-14 US disclosed
US-20120142711-A1 ACID-LABILE TRIGGER UNITS KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2012-06-07 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
US-7402674-B2 7-Phenylamino-4-quinolone-3-carboxylic acid derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH, (DE) 2008-07-22 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 CA1 118/4885CA2 189/4885CA4 1647/4885
US-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN CA1 4806/4885CA2 3455/4885CA4 3970/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CA1 3888/4885CA2 3859/4885CA4 2228/4885
US-11672867-B2 Protein-templated self-assembly of a covalent polymer network for intracellular trafficking and traceless release CCL2, ACTB, TIA1 CA1 3636/4885CA2 4113/4885CA4 4393/4885
US-20120142711-A1 ACID-LABILE TRIGGER UNITS ASIC1, ABL1, CA9 CA1 8/4885CA2 24/4885CA4 9/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CA1 169/4885CA2 142/4885CA4 1807/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CA1 169/4885CA2 142/4885CA4 1807/4885
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor NOTUM, OR51E2, ORMDL3 CA1 2353/4885CA2 4517/4885CA4 2589/4885
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS AURKA, AURKC, AURKB CA1 3490/4885CA2 1550/4885CA4 2683/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 CA1 169/4885CA2 142/4885CA4 1807/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 CA1 169/4885CA2 142/4885CA4 1807/4885

“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.