SCHEMBL447830

SCHEMBL447830

O=C(O)CC1(Cc2ccc(Br)cc2)CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MPI P34949 1/20 0.35
MME P08473 1/20 0.35

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
SCHEMBL444879 0.86 MAPK1 (0.56) MAPK1KMT2AMEN1ALDH1A1NPC1
SCHEMBL446627 0.75 MME (0.39) KMT2AMEN1HSD17B10HDAC3HDAC1
SCHEMBL24933197 0.74 GRIN2D (0.46) KMT2AMEN1HSD17B10HDAC3HDAC1
SCHEMBL24933198 0.70 KMT2A (0.35) KMT2AMEN1HSD17B10HDAC3HDAC1
SCHEMBL7166167 0.70 GAA (0.49) MAPK1KMT2AALDH1A1LMNAMAPT
SCHEMBL9465836 0.69 ALDH1A1 (0.52) MAPK1KMT2AALDH1A1HTTLMNA
SCHEMBL6523 0.68 MME (0.40) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL7616452 0.68 CYP1A2 (0.64) KMT2AHSD17B10ALDH1A1POLBLMNA
SCHEMBL18597899 0.68 GAA (0.41) MAPK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL446074 0.67 L3MBTL1 (0.38) MAPK1KMT2AMEN1HSD17B10L3MBTL1

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 MAPK1 1699/4885KMT2A 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.