SCHEMBL3681990

SCHEMBL3681990

CCCCCCCCC(CCC)C(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.66
CA1 P00915 1/20 0.66
ZDHHC7 Q9NXF8 1/20 0.61
BIRC2 Q13490 5/20 0.49
ABCB1 P08183 1/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 1/20 0.44
MAPT P10636 1/20 0.42
EPHX1 P07099 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL27449276 1.00 CA2 (0.66) CA2CA1ZDHHC7BIRC2ABCB1
SCHEMBL13933065 1.00 CA2 (0.66) CA2CA1ZDHHC7BIRC2ABCB1
SCHEMBL18760547 1.00 CA2 (0.66) CA2CA1ZDHHC7BIRC2ABCB1
SCHEMBL6353978 1.00 CA2 (0.66) CA2CA1ZDHHC7BIRC2ABCB1
SCHEMBL13808655 1.00 CA2 (0.66) CA2CA1ZDHHC7BIRC2ABCB1
SCHEMBL27812332 1.00 CA2 (0.66) CA2CA1ZDHHC7BIRC2ABCB1
SCHEMBL27787200 1.00 CA2 (0.66) CA2CA1ZDHHC7BIRC2ABCB1
SCHEMBL27766640 1.00 CA2 (0.66) CA2CA1ZDHHC7BIRC2ABCB1
SCHEMBL3679625 0.98 CA2 (0.68) CA2CA1ZDHHC7BIRC2ABCB1
Hydrochloric Acid SCHEMBL28119340 0.96 CA2 (0.66) CA2CA1ZDHHC7BIRC2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7714087-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2010-05-11 US disclosed
US-20090137757-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof IMUTA JUNICHI 2009-05-28 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 (3 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 2522/4885ZDHHC7 2212/4885
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SLC7A1, CYP2D6, CYP3A7 CA2 1820/4885CA1 3239/4885ZDHHC7 2620/4885
US-20180177760-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, AND RELATED DOSAGE FORMS SLC7A1, CYP2D6, CYP3A7 CA2 1710/4885CA1 3251/4885ZDHHC7 2928/4885

“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.