SCHEMBL16606239

SCHEMBL16606239

CCc1cccc(OC(C)C)c1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
ALDH1A1 P00352 3/20 0.39
ACHE P22303 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9817931 0.87 ADRA2A (0.39) ADRA2AADRA2BADRA2CIRAK4CA1
SCHEMBL1458318 0.83 IRAK4 (0.40) IRAK4CA1CA2CA7CA9
SCHEMBL677043 0.83 MCHR1 (0.37) IRAK4CA1CA2CA7CA9
SCHEMBL5412735 0.82 ADRA2A (0.51) ADRA2AADRA2BADRA2CIRAK4ALDH1A1
SCHEMBL2069873 0.81 MCHR1 (0.46) ADRA2AADRA2BADRA2CIRAK4CA1
SCHEMBL17887315 0.79 MCHR1 (0.44) ADRA2AADRA2BADRA2CIRAK4CA1
SCHEMBL12514817 0.79 GABRA1 (0.47) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL11919265 0.79 DHODH (0.41) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL8371344 0.79 IRAK4 (0.40) ADRA2AADRA2BADRA2CIRAK4CA1
SCHEMBL27867050 0.77 ALDH1A1 (0.42) ADRA2AADRA2BADRA2CIRAK4ALDH1A1

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-10364217-B2 Chemical compounds RESMAN AS (NO) 2019-07-30 US disclosed
US-20160214930-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2016-07-28 US disclosed
US-20150094240-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2015-04-02 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 (3 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-20160214930-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR ADRA2A 4447/4885ADRA2B 3965/4885ADRA2C 4107/4885
US-20150094240-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR ADRA2A 4447/4885ADRA2B 3965/4885ADRA2C 4107/4885
US-10364217-B2 Chemical compounds PTGES, PTGIS, PTGFR ADRA2A 4447/4885ADRA2B 3965/4885ADRA2C 4107/4885

“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.