SCHEMBL6005350

SCHEMBL6005350

CC(C)CC(Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.51
GRN P28799 1/20 0.49
SORT1 Q99523 1/20 0.49
KMO O15229 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FDFT1 P37268 2/20 0.46
MME P08473 1/20 0.44
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL9781682 0.87 KMO (0.56) PNMTKMOMEN1KMT2AFDFT1
SCHEMBL4619729 0.81 KMO (0.51) PNMTKMOMEN1KMT2AFDFT1
SCHEMBL6005581 0.80 PNMT (0.58) PNMTGRNSORT1KMOFDFT1
SCHEMBL6003855 0.80 PNMT (0.58) PNMTGRNSORT1KMOFDFT1
SCHEMBL5130053 0.80 PNMT (0.58) PNMTGRNSORT1KMOFDFT1
SCHEMBL6005368 0.80 KMO (0.48) PNMTKMOMEN1KMT2AFDFT1
SCHEMBL4983468 0.80 PNMT (0.50) PNMTGRNSORT1KMOMEN1
SCHEMBL4439324 0.78 PNMT (0.53) PNMTKMOTSHR
SCHEMBL6006032 0.78 PNMT (0.54) PNMTGRNSORT1FDFT1TSHR
SCHEMBL6005266 0.77 KMO (0.48) PNMTKMOMEN1KMT2AFDFT1

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-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP PNMT 479/4885GRN 1030/4885SORT1 2449/4885

“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.