SCHEMBL446627

SCHEMBL446627

O=C(O)C(C(=O)O)C1(Cc2ccc(Br)cc2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.34
NTSR1 P30989 1/20 0.34
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MPI P34949 1/20 0.34

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
SCHEMBL447379 0.86 MME (0.45) MMENPC1EPHX1
SCHEMBL446074 0.82 L3MBTL1 (0.38) MMEKMT2AMEN1HSD17B10L3MBTL1
SCHEMBL447830 0.75 MAPK1 (0.46) MMEKMT2AMEN1HSD17B10HDAC3
SCHEMBL24933197 0.73 GRIN2D (0.46) KMT2AMEN1HSD17B10HDAC3HDAC1
SCHEMBL24933198 0.69 KMT2A (0.35) KMT2AMEN1HSD17B10HDAC3HDAC1
SCHEMBL446219 0.69 FPR2 (0.39) MMEKMT2AMEN1EPHX1LMNA
SCHEMBL6523 0.67 MME (0.40) MMEKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL28841070 0.65 MME (0.44) MMEKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2325209 0.65 HDAC1 (0.55) KMT2AMEN1HDAC3HDAC1HDAC7
SCHEMBL16040906 0.64 ADRB2 (0.44) MMEKMT2AMEN1HDAC3HDAC1

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 2 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

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 50/4885KMT2A 3951/4885MEN1 1819/4885

“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.