SCHEMBL449478

SCHEMBL449478

CCOC(=O)C(C(=O)OCC)C(C)(C)Cc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MMP8 P22894 1/20 0.42
MME P08473 2/20 0.41
ACE P12821 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
PDE3B Q13370 1/20 0.39

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
SCHEMBL446077 0.89 LMNA (0.42) LMNAMAPTMAPK1NPSR1KMT2A
SCHEMBL2173983 0.83 KMT2A (0.49) LMNAMAPTMAPK1NPSR1KMT2A
SCHEMBL449755 0.81 MME (0.48) LMNAKMT2AMMEALDH1A1SMN1; SMN2
SCHEMBL7362869 0.80 MMP8 (0.59) LMNAMAPTMAPK1NPSR1KMT2A
SCHEMBL29256550 0.77 MMP8 (0.52) LMNAMAPTKMT2AMEN1MMP8
SCHEMBL29277095 0.77 ALDH1A1 (0.48) LMNAMAPTMAPK1NPSR1KMT2A
SCHEMBL9395117 0.77 ALDH1A1 (0.55) LMNAMAPTMAPK1NPSR1KMT2A
SCHEMBL6974147 0.76 MMP8 (0.48) LMNAMAPTMAPK1NPSR1KMT2A
SCHEMBL5205923 0.76 MMP8 (0.48) LMNAMAPTMAPK1NPSR1KMT2A
SCHEMBL5205928 0.76 MMP8 (0.48) LMNAMAPTMAPK1NPSR1KMT2A

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed
US-4800212-A Pyrrolidone-2 compounds and anti-hypertensive use thereof BEECHAM GROUP P.L.C. (GB) 1989-01-24 US disclosed
EP-0168619-B1 N-ACYLATED DI- OR TETRAHYDRONAPHTHALENAMINES, AND ANTIHYPERTENSIVE COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1988-08-24 EP disclosed
EP-0168619-A1 N-acylated di- or tetrahydronaphthalenamines, and antihypertensive compositions containing them BEECHAM GROUP PLC (GB) 1986-01-22 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 (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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 LMNA 463/4885MAPT 14/4885MAPK1 1699/4885

“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.