SCHEMBL6762829

SCHEMBL6762829

CC(CCCC(C)(C)O)N[C]=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.38
ALDH1A1 P00352 1/20 0.35
AURKA O14965 4/20 0.30
FYN P06241 2/20 0.30
YES1 P07947 2/20 0.30
SRC P12931 2/20 0.30
AURKB Q96GD4 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 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
Methamoctol SCHEMBL13003427 0.74 KCNH3 (0.41) KCNH3ALDH1A1AURKAFYNYES1
SCHEMBL269774 0.74
SCHEMBL20657646 0.74 LMNA (0.40) ALDH1A1KMT2ALMNAMEN1
SCHEMBL271630 0.72 ADH1B (0.50) MAPT
SCHEMBL6762832 0.72 ADH1B (0.55) KCNH3ALDH1A1KMT2ACYP3A4LMNA
SCHEMBL10577149 0.72 KCNH3 (0.38) KCNH3ALDH1A1KMT2ALMNAMAPT
SCHEMBL5793891 0.72 KCNH3 (0.41) KCNH3ALDH1A1KMT2ALMNAMAPT
SCHEMBL15513615 0.72
SCHEMBL9797214 0.71 ADH1B (0.53) LMNAMAPT
SCHEMBL8518528 0.71 ADH1B (0.53) LMNAMAPT

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-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase ABBOTT LABORATORIES 2004-03-11 US disclosed
WO-2003076408-A2 INDAZOLE DERIVATIVES THAT ARE ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2003-09-18 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-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase GUCY1B1, GUCY1A1, GUCY1A2 KCNH3 665/4885ALDH1A1 260/4885AURKA 3044/4885

“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.