SCHEMBL891794

SCHEMBL891794

N[C@@]1(C(=O)O)c2cc(Br)ccc2O[C@H]2CCC3(C[C@H]21)OCCO3

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.39
BACE1 P56817 10/20 0.38
CTSD P07339 1/20 0.38
APP P05067 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
ANPEP P15144 1/20 0.31
STAT3 P40763 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL892208 1.00 AKR1B1 (0.39) AKR1B1BACE1CTSDAPPSMN1; SMN2
SCHEMBL10209435 1.00 AKR1B1 (0.39) AKR1B1BACE1CTSDAPPSMN1; SMN2
SCHEMBL10209412 0.92 AKR1B1 (0.39) AKR1B1BACE1CTSDAPPSMN1; SMN2
SCHEMBL10268860 0.92 AKR1B1 (0.39) AKR1B1BACE1CTSDAPPSMN1; SMN2
SCHEMBL892330 0.92 AKR1B1 (0.39) AKR1B1BACE1CTSDAPPSMN1; SMN2
Hydrochloric Acid SCHEMBL12491275 0.91 AKR1B1 (0.38) AKR1B1BACE1CTSDAPPSMN1; SMN2
SCHEMBL10209437 0.88 AKR1B1 (0.39) AKR1B1BACE1CTSDAPPANPEP
SCHEMBL892252 0.88 AKR1B1 (0.39) AKR1B1BACE1CTSDAPPANPEP
SCHEMBL892253 0.88 AKR1B1 (0.39) AKR1B1BACE1CTSDAPPANPEP
SCHEMBL10265991 0.87 AKR1B1 (0.33) AKR1B1BACE1

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 1 patent. 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

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 AKR1B1 998/4885BACE1 1/4885CTSD 224/4885

“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.