SCHEMBL449755

SCHEMBL449755

CC(C)(Cc1ccc(Br)cc1)C(C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.48
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPA1 O75762 1/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
EPHX1 P07099 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BLM P54132 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
SCHEMBL448939 0.86 MME (0.48) MMEPPARGPPARDPPARALMNA
SCHEMBL449478 0.81 LMNA (0.43) MMEPPARGPPARDPPARALMNA
SCHEMBL12492687 0.76 BLM (0.46) MMEPPARDPPARALMNAKMT2A
SCHEMBL5149405 0.76 BLM (0.46) MMEPPARDPPARALMNAKMT2A
SCHEMBL2175094 0.74 BLM (0.44) MMEPPARDPPARALMNAKMT2A
SCHEMBL2175090 0.74 BLM (0.44) MMEPPARDPPARALMNAKMT2A
SCHEMBL446077 0.73 LMNA (0.42) MMELMNAKMT2AMMP1MMP9
SCHEMBL3099777 0.73 LMNA (0.45) MMELMNAKMT2APOLBCTDSP1
SCHEMBL12530276 0.73 BLM (0.71) MMEPPARDPPARALMNAKMT2A
SCHEMBL446707 0.73 TBXA2R (0.44) MMELMNAKMT2APOLBCTDSP1

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 MME 50/4885PPARG 2403/4885PPARD 2405/4885

“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.