SCHEMBL10066554

SCHEMBL10066554

Br/C=c1\cccc\c1=C/Br

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.31
ALOX12 P18054 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 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
SCHEMBL8903319 1.00 TDP1 (0.33) TDP1ALDH1A1CYP2A6ALOX12MEN1
SCHEMBL8023274 0.83
SCHEMBL21647857 0.83
SCHEMBL21647884 0.62
SCHEMBL21462873 0.62
SCHEMBL868008 0.62 CYP19A1 (0.41) ALDH1A1MEN1LMNATHRBBLM
SCHEMBL19871625 0.61 CYP3A4 (0.35) TDP1ALDH1A1CYP2A6ALOX12MEN1
SCHEMBL5084226 0.61 CYP2A6 (0.31) TDP1CYP2A6ALOX12MEN1LMNA
SCHEMBL18387086 0.61 TSHR (0.35) TDP1CYP2A6ALOX12MEN1LMNA
SCHEMBL134062 0.59

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-20120108548-A1 MOLECULAR TWEEZERS FOR THE TREATMENT OF AMYLOID-RELATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-03 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-20120108548-A1 MOLECULAR TWEEZERS FOR THE TREATMENT OF AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 TDP1 659/4885ALDH1A1 4661/4885CYP2A6 4866/4885

“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.