SCHEMBL7217047

SCHEMBL7217047

CCCCCC(C)C(=O)OCCC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
ACE2 Q9BYF1 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.44
MAPT P10636 1/20 0.44
FAAH O00519 1/20 0.42
FDPS P14324 4/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
NAAA Q02083 1/20 0.41
DGKA P23743 1/20 0.41

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
SCHEMBL17827489 1.00 CA1 (0.55) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL27901941 0.98 CA1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL9728487 0.98 CA1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL17435172 0.98 CA1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL7223212 0.98 CA1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL27906637 0.98 CA1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL7218218 0.94 CA1 (0.47) CA1ACE2FDPSNAAADGKA
SCHEMBL7223259 0.92 CA1 (0.55) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL7219469 0.92 CA1 (0.55) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL7218790 0.90 CA1 (0.53) CA1ACE2ZDHHC7MAPTFAAH

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-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-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 (2 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 CA1 2522/4885ACE2 554/4885ZDHHC7 2212/4885
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SLC7A1, CYP2D6, CYP3A7 CA1 3239/4885ACE2 543/4885ZDHHC7 2620/4885

“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.