SCHEMBL5189643

SCHEMBL5189643

NC(=O)CCCc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.63
HDAC3 O15379 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC2 Q92769 1/20 0.63
TAAR1 Q96RJ0 1/20 0.60
HDAC8 Q9BY41 1/20 0.59
TRPV1 Q8NER1 1/20 0.59
CALM1 P0DP23 2/20 0.57
TRPM8 Q7Z2W7 1/20 0.55
CYP3A4 P08684 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
TRPA1 O75762 1/20 0.51
SLC6A4 P31645 1/20 0.50

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
SCHEMBL5191016 0.94 HDAC1 (0.72) HDAC1HDAC3HDAC6HDAC2TAAR1
SCHEMBL30989338 0.94 HDAC1 (0.72) HDAC1HDAC3HDAC6HDAC2TAAR1
SCHEMBL300007 0.92 TAAR1 (0.62) HDAC1HDAC3HDAC6HDAC2TAAR1
SCHEMBL5717704 0.90 LMNA (0.56) HDAC1HDAC3HDAC6HDAC2TAAR1
SCHEMBL5717516 0.87 HDAC1 (0.63) HDAC1HDAC3HDAC6HDAC2TAAR1
SCHEMBL15931848 0.86 HDAC1 (0.62) HDAC1HDAC3HDAC6HDAC2TAAR1
SCHEMBL9150165 0.84 TAAR1 (0.53) HDAC1HDAC3HDAC6HDAC2TAAR1
SCHEMBL108050 0.82 CALM1 (0.72) HDAC1HDAC3HDAC6HDAC2TAAR1
SCHEMBL4698724 0.82 TSHR (0.53) HDAC1HDAC3HDAC6HDAC2TAAR1
SCHEMBL11697156 0.82 HDAC1 (0.69) HDAC1HDAC3HDAC6HDAC2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040410-A Preparation method of piperonylethylamine 湖北石河医药科技有限公司 2025-05-27 CN disclosed
CN-116715652-A Preparation method of key intermediate piperonylethylamine of berberine 迪庆顺源生物有限公司 2023-09-08 CN disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 HDAC1 226/4885HDAC3 259/4885HDAC6 140/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 HDAC1 226/4885HDAC3 259/4885HDAC6 140/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 HDAC1 193/4885HDAC3 228/4885HDAC6 143/4885

“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.