SCHEMBL7046513

SCHEMBL7046513

C[N]C(=O)Cc1cccc2c1C(CCCCBr)(C(=O)O)c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDK2 Q15119 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
SCHEMBL6766815 0.85 THRB (0.34) APEX1THRBTDP1
SCHEMBL5863723 0.79 THRB (0.46) APEX1THRBTDP1PDK2
SCHEMBL6766347 0.79 APEX1 (0.35) APEX1THRBTDP1PDK2
SCHEMBL7052018 0.78 SIGMAR1 (0.43)
Hydrochloric Acid SCHEMBL6777668 0.78 THRB (0.44) APEX1THRBTDP1PDK2
SCHEMBL6777664 0.77 PDK2 (0.40) APEX1THRBTDP1PDK2
Propionamide SCHEMBL27574379 0.73 THRB (0.38) APEX1THRBTDP1
SCHEMBL6766699 0.73 PDK2 (0.40) APEX1THRBTDP1PDK2
SCHEMBL6769789 0.72 AKR1C1 (0.35) APEX1THRBTDP1
SCHEMBL17742236 0.72 THRB (0.53) APEX1THRBTDP1

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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors MTTP, CETP, LIPC APEX1 4003/4885THRB 1353/4885TDP1 1667/4885

“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.