SCHEMBL10117829

SCHEMBL10117829

CC(=O)CCC(=O)NNc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.71
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 7/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.51
PTGS2 P35354 1/20 0.48
CYP2C19 P33261 2/20 0.47
CRHR1 P34998 1/20 0.47
RECQL P46063 1/20 0.47
ALOX12 P18054 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL491040 0.85 ALOX5 (0.70) ALOX5CYP3A4TSHRKDM4ESMN1; SMN2
SCHEMBL11416924 0.85 ALOX5 (0.65) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL1531522 0.83 ALOX5 (1.00) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL30513891 0.82 ALOX5 (0.72) ALOX5CYP3A4TSHRKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8957363 0.81 ALOX5 (0.96) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL8974891 0.81 L3MBTL1 (0.67) CYP3A4ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL6633779 0.80 ALOX5 (0.80) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL13042440 0.80 ALOX5 (0.68) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL11418048 0.79 ALOX5 (0.73) ALOX5CYP3A4TSHRALDH1A1KDM4E
SCHEMBL19720259 0.79 ALOX5 (0.62) ALOX5CYP3A4TSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106141-B2 Cure accelerators for anaerobic curable compositions HENKEL CORPORATION (US) 2012-01-31 US disclosed
US-20090281335-A1 Cure Accelerators for Anaerobic Curable Compositions HENKEL CORPORATION (US) 2009-11-12 US disclosed
US-20090277356-A1 Cure Accelerators for Anaerobic Curable Compositions HENKEL CORPORATION (US) 2009-11-12 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 (2 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-20090277356-A1 Cure Accelerators for Anaerobic Curable Compositions ACLY, ACAD9, CCNY ALOX5 903/4885CYP3A4 2198/4885TSHR 4841/4885
US-20090281335-A1 Cure Accelerators for Anaerobic Curable Compositions CAT, MRM1, ACLY ALOX5 1127/4885CYP3A4 2057/4885TSHR 4604/4885

“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.