SCHEMBL12929951

SCHEMBL12929951

CC(C)(C)Oc1ccc(N2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 7/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL15483612 0.84 MAPT (0.38) KCNH2HRH3ALDH1A1MAPTKDM4E
SCHEMBL12929953 0.83 MAPT (0.55) ALDH1A1MAPTKDM4EALOX15L3MBTL1
SCHEMBL12929952 0.83 ALDH1A1 (0.53) HRH3ALDH1A1MAPTKDM4EALOX15
SCHEMBL11753366 0.81 KCNH2 (0.45) KCNH2HRH3ALDH1A1MAPTKDM4E
SCHEMBL2426703 0.78 KCNA5 (0.50) KCNH2HRH3ALDH1A1MAPTKDM4E
SCHEMBL20415005 0.78 HTR3E (0.66) ALDH1A1MAPTL3MBTL1KMT2ARAB9A
SCHEMBL20748280 0.78 HTR3E (0.66) ALDH1A1MAPTL3MBTL1KMT2ARAB9A
SCHEMBL107369 0.78 HTR3E (0.66) ALDH1A1MAPTL3MBTL1KMT2ARAB9A
SCHEMBL20415006 0.78 HTR3E (0.66) ALDH1A1MAPTL3MBTL1KMT2ARAB9A
SCHEMBL11839232 0.77 HRH3 (0.45) KCNH2HRH3ALDH1A1MAPTKDM4E

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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 — — US disclosed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 — — 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-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 KCNH2 4576/4885HRH3 2071/4885ALDH1A1 2239/4885

“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.

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