SCHEMBL19403173

SCHEMBL19403173

Cc1cc(CC(C)C)cc2c1COC2=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 9/20 0.36
KCNH2 Q12809 6/20 0.35
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
ACHE P22303 1/20 0.35
SSTR1 P30872 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALOX5 P09917 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL14849269 0.76 KCNJ1 (0.38) KCNJ1KCNH2MAOAMAOBACHE
SCHEMBL10177027 0.74 KCNJ1 (0.42) KCNJ1KCNH2MAOAMAOBALOX5
SCHEMBL18704863 0.72 KCNJ1 (0.36) KCNJ1KCNH2MAOAMAOBACHE
SCHEMBL19403178 0.69 KCNJ1 (0.59) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL26110766 0.68
SCHEMBL29568743 0.65 KCNJ1 (0.51) KCNJ1KCNH2MAOAMAOBACHE
SCHEMBL7639394 0.65 KCNJ1 (0.51) KCNJ1KCNH2MAOAMAOBACHE
SCHEMBL18812259 0.65 PRMT5 (0.39) KCNJ1MAOAMAOBACHEALDH1A1
SCHEMBL15036782 0.64 KCNJ1 (0.64) KCNJ1KCNH2ACHESSTR1SLC6A4
SCHEMBL286354 0.64 KCNJ1 (0.46) KCNJ1KCNH2MAOAMAOBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275302-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. 2017-09-28 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 (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-20170275302-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885KCNH2 18/4885MAOA 3391/4885

“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.