SCHEMBL874367

SCHEMBL874367

O=C1c2cc(Br)c(F)cc2O[C@H]2CCCO[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL875033 0.78 PBRM1 (0.43) ALDH1A1LMNAPOLBKMT2ASMN1; SMN2
SCHEMBL874411 0.70 KDM4E (0.48) ALDH1A1LMNAMAPTPOLBKMT2A
SCHEMBL15192693 0.69 MAP3K5 (0.39) MAP3K5ALDH1A1KMT2A
SCHEMBL892359 0.66 BACE1 (0.31) MAPT
SCHEMBL891784 0.64 BACE1 (0.38) MAP3K5
SCHEMBL15192882 0.64 MAP3K5 (0.40) MAP3K5ALDH1A1SMN1; SMN2
SCHEMBL31288930 0.64
SCHEMBL16136560 0.63 MAOB (0.47) MAP3K5ALDH1A1SMN1; SMN2
SCHEMBL31426114 0.62 PKM (0.39) MAP3K5MAPTKMT2ASMN1; SMN2
SCHEMBL9931654 0.62 PBRM1 (0.38) ALDH1A1KMT2A

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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-04-05 US disclosed
WO-2012040641-A2 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-03-29 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-20120083501-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 MAP3K5 2515/4885ALDH1A1 2346/4885LMNA 616/4885

“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.