SCHEMBL446461

SCHEMBL446461

CC1(Cc2ccc(Br)cc2)CC(=O)c2cc(Br)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ITGAL P20701 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP2 O95551 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
ACHE P22303 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
TGM2 P21980 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
SCHEMBL448438 0.82 ESR1 (0.37) MAOBKDM4EALDH1A1TDP1L3MBTL1
SCHEMBL446940 0.80 BACE1 (0.39) ITGALTDP2ITGB2ICAM1
SCHEMBL427867 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HTTTDP1L3MBTL1
SCHEMBL446087 0.73 MAOB (0.33) MAOBTDP1L3MBTL1TDP2PARP1
SCHEMBL10688916 0.73 SIGMAR1 (0.39) MAOBLMNAHTTL3MBTL1MAOA
SCHEMBL449042 0.71 CA1 (0.37) TDP1L3MBTL1TDP2PARP1PARP10
SCHEMBL9418940 0.70 TDP1 (0.45) ALDH1A1HTTTDP1L3MBTL1TDP2
SCHEMBL30676574 0.68 TDP1 (0.46) ALDH1A1TDP1L3MBTL1TDP2PARP1
SCHEMBL1572850 0.68 TDP1 (0.46) ALDH1A1TDP1L3MBTL1TDP2PARP1
SCHEMBL484599 0.68 PDE4B (0.46) TDP1L3MBTL1TDP2PARP1PARP10

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 MAOB 781/4885KDM4E 4178/4885NPC1 45/4885

“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.