SCHEMBL5718296

SCHEMBL5718296

CCOCCC(Br)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
THRB P10828 2/20 0.35
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5718169 0.81 ALDH1A1 (0.39) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL3328503 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTHRBCHRM1AKR1A1
SCHEMBL839217 0.79 LCK (0.42) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL9061653 0.77 LCK (0.65) LCKPPARDZDHHC20ZDHHC2THRB
SCHEMBL2321210 0.77
SCHEMBL5718387 0.77
SCHEMBL29018448 0.77
SCHEMBL566391 0.76 GABRR1 (0.48) ALDH1A1TSHRTHRBCHRM1AKR1A1
SCHEMBL9782826 0.74 ALDH1A1 (0.45) ALDH1A1TSHRTHRBCHRM1AKR1A1
SCHEMBL8000093 0.74 RNPEP (0.47) ALDH1A1TSHRTHRBCHRM1AKR1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141560-B2 Alanine 2,6-dialkoxyphenyl ester derivatives as hypnotics AKZO NOBEL N.V. (NL) 2006-11-28 US disclosed
EP-1373188-B1 ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS AKZO NOBEL NV (NL) 2006-06-07 EP disclosed
US-20040059109-A1 Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics N.V. ORGANON (NL) 2004-03-25 US disclosed
EP-1373188-A1 ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS Akzo Nobel N.V. (NL) 2004-01-02 EP disclosed
WO-2002057218-A1 ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS AKZO NOBEL N.V. (NL) 2002-07-25 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-20040059109-A1 Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics OPRM1, OPRD1, OPRK1 LCK 4816/4885PPARD 3119/4885ZDHHC20 3718/4885

“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.