SCHEMBL6843513

SCHEMBL6843513

COC(=O)NC(CCc1cccc(OC)c1OC)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50
ALDH1A1 P00352 3/20 0.47
ECE1 P42892 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HIF1A Q16665 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 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
SCHEMBL7340397 0.87 CTSG (0.49) CTSGCMA1ALDH1A1ECE1CA12
SCHEMBL31688471 0.87 CTSG (0.49) CTSGCMA1ALDH1A1ECE1CA12
Hydrochloric Acid SCHEMBL8065739 0.86 CTSG (0.48) CTSGCMA1ALDH1A1ECE1CA12
SCHEMBL7331445 0.79 ALDH1A1 (0.51) CTSGCMA1ALDH1A1CA12CA1
SCHEMBL627389 0.78 MME (0.52) CTSGCMA1ALDH1A1KMT2AMEN1
SCHEMBL627390 0.78 MME (0.52) CTSGCMA1ALDH1A1KMT2AMEN1
SCHEMBL8238588 0.78 CTSK (0.54) ALDH1A1GAA
SCHEMBL21408984 0.78 CTSK (0.54) ALDH1A1GAA
SCHEMBL12305802 0.78 CTSK (0.54) ALDH1A1GAA
Hydrochloric Acid SCHEMBL8959813 0.77 ALDH1A1 (0.50) CTSGCMA1ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102652-A1 Optically active2-aminotetralin derivatives, the processes for the preparation thereof and the therapeutical use of pharmaceutical compositions containing them CHIESI FARMACEUTICI S.P.A. (IT) 2004-05-27 US disclosed
EP-1280759-A1 OPTICALLY ACTIVE 2-AMINOTETRALIN DERIVATIVES, THE PROCESSES FOR THE PREPARATION THEREOF AND THE THERAPEUTICAL USE OF PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHIESI FARMACEUTICI S.p.A. (IT) 2003-02-05 EP disclosed
WO-2001085668-A1 OPTICALLY ACTIVE 2-AMINOTETRALIN DERIVATIVES, THE PROCESSES FOR THE PREPARATION THEREOF AND THE THERAPEUTICAL USE OF PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHIESI FARMACEUTICI S.P.A. (IT) 2001-11-15 WO disclosed
EP-0788472-B1 A PROCESS FOR THE PREPARATION OF 5,6-DIHYDROXY-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES CHIESI FARMA SPA (IT) 2000-08-02 EP disclosed
US-6034277-A Process for the preparation of 5,6-dihydroxy-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2000-03-07 US disclosed
US-5936125-A Process for the preparation of 5,6-dihydroxy-2-amino-1,2,3,4-tetrahydronaphthalene derivatives CHIESI FARMACEUTICI S.P.A. (IT) 1999-08-10 US disclosed
US-5710336-A Process for the preparation of 5-6-dihydroxy-2-amino-1, 2, 3, 4-tetrahydronaphthalene derivatives CHIESI FARMACEUTICI S.P.A. (IT) 1998-01-20 US disclosed
EP-0788472-A1 A PROCESS FOR THE PREPARATION OF 5,6-DIHYDROXY-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES CHIESI FARMACEUTICI S.p.A. (IT) 1997-08-13 EP disclosed
WO-1995029147-A1 A PROCESS FOR THE PREPARATION OF 5,6-DIHYDROXY-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 1995-11-02 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 (1 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-20040102652-A1 Optically active2-aminotetralin derivatives, the processes for the preparation thereof and the therapeutical use of pharmaceutical compositions containing them AADAT, AASDHPPT, AAAS CTSG 3921/4885CMA1 1923/4885ALDH1A1 855/4885

“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.