SCHEMBL8424282

SCHEMBL8424282

CN(CCCCCO)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.52
PAX8 Q06710 1/20 0.52
ALDH1A1 P00352 5/20 0.47
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
GHSR Q92847 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL3170360 1.00 CCR6 (0.52) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL19346032 0.98 CCR6 (0.53) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL1897393 0.94 CCR6 (0.51) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL19621560 0.88 CHRNB2 (0.43) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL553299 0.88 ALDH1A1 (0.53) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL392019 0.87 HTT (0.50) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL30805121 0.87 CCR6 (0.48) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL27267384 0.87 CCR6 (0.48) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL28002371 0.87 HTT (0.50) CCR6PAX8ALDH1A1F13A1TGM2
SCHEMBL12013715 0.87 ALDH1A1 (0.51) CCR6PAX8ALDH1A1F13A1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085523-B2 Compound for treating cartilage disorders ONO PHARMACEUTICAL CO., LTD. (JP) 2015-07-21 US disclosed
US-20140171388-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2014-06-19 US disclosed
EP-0949238-A1 SUBSTITUTED PROPIONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 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-20140171388-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS COL2A1, COL1A1, ADAMTS1 CCR6 377/4885PAX8 551/4885ALDH1A1 47/4885

“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.