SCHEMBL7217878

SCHEMBL7217878

CCCCCCC(CC)C(=O)OCCC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.58
CA1 P00915 4/20 0.58
MAPK1 P28482 1/20 0.48
ZDHHC7 Q9NXF8 1/20 0.46
MAPT P10636 1/20 0.46
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
NAAA Q02083 1/20 0.42
DGKA P23743 1/20 0.42
FFAR1 O14842 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
SCHEMBL28192908 1.00 CA2 (0.58) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL9081169 1.00 CA2 (0.58) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL6116357 0.98 CA2 (0.60) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL7222901 0.92 CA2 (0.58) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL7217255 0.92 CA2 (0.58) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL7219194 0.92 CA2 (0.58) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL7223920 0.92 CA2 (0.58) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL7218993 0.92 CA2 (0.58) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL3403953 0.92 CA2 (0.58) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL3454037 0.92 CA2 (0.58) CA2CA1MAPK1ZDHHC7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180177760-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, AND RELATED DOSAGE FORMS SPRIASO LLC (US) 2018-06-28 US disclosed
US-9956201-B2 Compositions comprising bioreversible derivatives of hydroxy N-substituted-2-aminotetralins, and related dosage forms SPRIASO LLC (US) 2018-05-01 US disclosed
US-9362595-B2 Nonaqueous electrolytic solution and energy storage device using same UBE INDUSTRIES, LTD. (JP) 2016-06-07 US disclosed
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SPRIASO LLC 2016-01-21 US disclosed
US-20160016887-A1 Methods of treating a subject using bioreversible derivatives of hydroxy n-substituted-2-aminotetralins SPRIASO LLC 2016-01-21 US disclosed
US-20140030609-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2014-01-30 US disclosed
CN-103477492-A Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES 2013-12-25 CN disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP 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 (4 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-20160016887-A1 Methods of treating a subject using bioreversible derivatives of hydroxy n-substituted-2-aminotetralins SLC7A1, CYP2D6, SLC19A1 CA2 1438/4885CA1 2522/4885MAPK1 4794/4885
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SLC7A1, CYP2D6, CYP3A7 CA2 1820/4885CA1 3239/4885MAPK1 4724/4885
US-20180177760-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, AND RELATED DOSAGE FORMS SLC7A1, CYP2D6, CYP3A7 CA2 1710/4885CA1 3251/4885MAPK1 4652/4885
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 CA2 4216/4885CA1 3532/4885MAPK1 104/4885

“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.