SCHEMBL5651312

SCHEMBL5651312

O=C1CCCN(NC(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
LIPE Q05469 2/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 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
SCHEMBL9325188 0.92 HTT (0.34) HTTLIPEPKMKMT2A
SCHEMBL1801925 0.78
SCHEMBL477228 0.78
SCHEMBL34638 0.75 HTT (0.52) HTTALDH1A1KDM4ETP53GLA
Hydrochloric Acid SCHEMBL11600093 0.75 HTT (0.47) HTTALDH1A1KDM4ETP53GLA
SCHEMBL9727085 0.75 HTT (0.52) HTTALDH1A1KDM4ETP53GLA
SCHEMBL5651167 0.74 LIPE (0.39) GAANFKB1LIPE
Benzene SCHEMBL3841909 0.73 HTT (0.55) HTTALDH1A1KDM4ETP53GLA
Hydrochloric Acid SCHEMBL8939931 0.73 HTT (0.50) HTTALDH1A1KDM4ETP53GLA
SCHEMBL4615811 0.72

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
CN-101817815-A Compounds with antibacterial activity MORPHOCHEM AG KOMB CHEMIE 2010-09-01 CN disclosed
CN-100569769-C Compounds with fungicidal activity MORPHOCHEM AG KOMB CHEMIE (DE) 2009-12-16 CN disclosed
US-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 US disclosed
CN-1703412-A Novel compounds with fungicidal activity MORPHOCHEM AG KOMB CHEMIE (DE) 2005-11-30 CN 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 HTT 4835/4885TRIM24 2917/4885TRIM33 3562/4885

“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.