SCHEMBL877188

SCHEMBL877188

NC1(C(=O)O)c2cc(Br)ccc2OC2CCCCC21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.46
BACE1 P56817 11/20 0.40
CTSD P07339 1/20 0.40
APP P05067 6/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL876606 0.86 AKR1B1 (0.43) AKR1B1BACE1CTSDAPP
SCHEMBL877046 0.82 BACE1 (0.43) AKR1B1BACE1CTSDAPP
SCHEMBL892208 0.81 AKR1B1 (0.39) AKR1B1BACE1CTSDAPP
SCHEMBL892330 0.81 AKR1B1 (0.39) AKR1B1BACE1CTSDAPP
SCHEMBL10209435 0.81 AKR1B1 (0.39) AKR1B1BACE1CTSDAPP
SCHEMBL10268860 0.81 AKR1B1 (0.39) AKR1B1BACE1CTSDAPP
SCHEMBL10209412 0.81 AKR1B1 (0.39) AKR1B1BACE1CTSDAPP
SCHEMBL891794 0.81 AKR1B1 (0.39) AKR1B1BACE1CTSDAPP
Hydrochloric Acid SCHEMBL12491275 0.80 AKR1B1 (0.38) AKR1B1BACE1CTSDAPP
SCHEMBL8613061 0.73 AKR1B1 (0.42) AKR1B1BACE1CTSDAPP

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 3 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
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 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.