SCHEMBL17481685

SCHEMBL17481685

CCCOC(OC)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
ACHE P22303 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 2/20 0.32
LMNA P02545 2/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MLKL Q8NB16 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9846188 0.90 CHRNA7 (0.43) CHRNA7ACHEALDH1A1TDP1MEN1
SCHEMBL10254167 0.82 AOC3 (0.42) TDP1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL17789886 0.82 SLC6A2 (0.39) ACHEMAPTALDH1A1MEN1KMT2A
SCHEMBL17789906 0.82 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL14417585 0.82 HTT (0.41) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2431139 0.80 ACHE (0.44) CHRNA7ACHEMAPTALDH1A1TDP1
SCHEMBL9451044 0.80 PTGS2 (0.41) ACHEMAPTALDH1A1TDP1SLC6A2
SCHEMBL9053497 0.80 MAPT (0.39) MAPTMEN1KMT2ARECQLTHRB
SCHEMBL14282785 0.78 FFAR1 (0.33) CHRNA7ACHEMAPTALDH1A1TDP1
SCHEMBL17789873 0.78 PDE2A (0.40)

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-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 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-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CHRNA7 1251/4885ACHE 3054/4885MAPT 4776/4885

“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.