SCHEMBL3562858

SCHEMBL3562858

C=Cc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.64
CHRNA7 P36544 10/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
LTA4H P09960 2/20 0.52
PPARA Q07869 1/20 0.51
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL3695404 0.94 CHRNA7 (0.56) KCNA3CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL1260922 0.92 CHRNA7 (0.61) KCNA3CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL8754087 0.90 CHRNB2 (0.59) KCNA3CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL1140632 0.90 CHRNB2 (0.59) KCNA3CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL3565097 0.88 FFAR1 (0.56) KCNA3CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL9943360 0.87 CHRNA7 (0.61) KCNA3CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL3241666 0.85 CHRNA7 (0.63) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30120491 0.84 CHRNA7 (0.74) KCNA3CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL28188532 0.83 NPC1 (0.51) KCNA3CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL9831639 0.83 NPC1 (0.61) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 KCNA3 2925/4885CHRNA7 868/4885CHRNB2 2036/4885

“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.