SCHEMBL6103756

SCHEMBL6103756

O=CCCc1ccc2c(c1)COC2=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 10/20 0.62
KCNH2 Q12809 10/20 0.62
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
MAOA P21397 4/20 0.47
MAOB P27338 4/20 0.47
PRF1 P14222 3/20 0.46
ACHE P22303 1/20 0.46
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2724252 0.85 KCNJ1 (0.59) KCNJ1KCNH2MAPTLMNAGAA
SCHEMBL2722639 0.81 KCNJ1 (0.66) KCNJ1KCNH2MAPTLMNAGAA
SCHEMBL19367891 0.81 KCNJ1 (0.66) KCNJ1KCNH2MAPTLMNAGAA
SCHEMBL286654 0.81 KCNJ1 (0.66) KCNJ1KCNH2MAPTLMNAGAA
SCHEMBL6104061 0.78 KCNJ1 (0.62) KCNJ1KCNH2MAPTLMNAGAA
SCHEMBL18199329 0.78 KCNJ1 (0.62) KCNJ1KCNH2MAPTLMNAGAA
SCHEMBL16107505 0.77 KCNJ1 (0.51) KCNJ1KCNH2MAPTLMNAGAA
SCHEMBL4305292 0.77 KCNJ1 (0.61) KCNJ1KCNH2MAPTLMNAGAA
SCHEMBL10233877 0.77 KCNJ1 (1.00) KCNJ1KCNH2
SCHEMBL13870507 0.77 KCNJ1 (0.60) KCNJ1KCNH2MAPTLMNAGAA

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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 KCNJ1 3104/4885KCNH2 1780/4885MAPT 2806/4885

“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.