SCHEMBL7906116

SCHEMBL7906116

CCCCC(CCC)C(=O)OCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.52
CA1 P00915 5/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
MAPK1 P28482 1/20 0.47
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL22501898 0.94 HDAC1 (0.50) CA2CA1HDAC1HDAC2HDAC7
SCHEMBL28371367 0.92 HDAC3 (0.49) CA2CA1HDAC1HDAC2HDAC7
SCHEMBL17435176 0.92 HDAC3 (0.49) CA2CA1HDAC1HDAC2HDAC7
SCHEMBL20918402 0.92 HDAC3 (0.49) CA2CA1HDAC1HDAC2HDAC7
SCHEMBL25279039 0.92 HDAC3 (0.49) CA2CA1HDAC1HDAC2HDAC7
SCHEMBL25280333 0.92 HDAC3 (0.49) CA2CA1HDAC1HDAC2HDAC7
SCHEMBL25236864 0.92 HDAC3 (0.49) CA2CA1HDAC1HDAC2HDAC7
SCHEMBL25289530 0.92 HDAC3 (0.49) CA2CA1HDAC1HDAC2HDAC7
SCHEMBL28878379 0.92 CA2 (0.52) CA2CA1HDAC1HDAC2HDAC7
SCHEMBL2448748 0.91 HDAC1 (0.58) CA2CA1HDAC1HDAC2HDAC7

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 5 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-6207739-B1 Polyamide acid composition containing metal, polyimide film, flexible printed wiring board and method for producing them KANEGAFUCHI KAGAKU KOGYO KABUSHIKI (JP) 2001-03-27 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 2522/4885HDAC1 2404/4885
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SLC7A1, CYP2D6, CYP3A7 CA2 1820/4885CA1 3239/4885HDAC1 2539/4885
US-20180177760-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, AND RELATED DOSAGE FORMS SLC7A1, CYP2D6, CYP3A7 CA2 1710/4885CA1 3251/4885HDAC1 2931/4885

“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.