SCHEMBL6879499

SCHEMBL6879499

CCCCCCCCC(C)C(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
FFAR1 O14842 2/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CA2 P00918 1/20 0.46
HSPD1 P10809 1/20 0.45
BLM P54132 1/20 0.45
HSPE1 P61604 1/20 0.45
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CA1 P00915 2/20 0.44

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
SCHEMBL2569847 1.00 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL2332737 1.00 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL28916786 1.00 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL11668063 1.00 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL6921288 1.00 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL6569983 1.00 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL3731166 1.00 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL28706062 1.00 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL5970293 1.00 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK
SCHEMBL27574613 1.00 ACE2 (0.48) ACE2GPR84FFAR1MAPTLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152146-A1 Methods for screening compounds for use in the treatment of disease ENCORE PHARMACEUTICALS, INC. 2004-08-05 US claimed
WO-2004055200-A2 METHODS FOR SCREENING COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE ENCORE PHARMACEUTICALS, INC. (US) 2004-07-01 WO claimed
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-20040152146-A1 Methods for screening compounds for use in the treatment of disease ENCORE PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004055200-A2 METHODS FOR SCREENING COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE ENCORE PHARMACEUTICALS, INC. (US) 2004-07-01 WO 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 ACE2 554/4885GPR84 4187/4885FFAR1 1717/4885
US-20160015684-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N- SUBSTITUTED-2-AMINOTETRALINS, DOSAGE FORMS, AND RELATED METHODS SLC7A1, CYP2D6, CYP3A7 ACE2 543/4885GPR84 4555/4885FFAR1 2387/4885
US-20180177760-A1 COMPOSITIONS COMPRISING BIOREVERSIBLE DERIVATIVES OF HYDROXY N-SUBSTITUTED-2-AMINOTETRALINS, AND RELATED DOSAGE FORMS SLC7A1, CYP2D6, CYP3A7 ACE2 535/4885GPR84 4443/4885FFAR1 2080/4885

“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.