SCHEMBL17037249

SCHEMBL17037249

CC(C)C1CCC(CSc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CRBN Q96SW2 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
CTSB P07858 2/20 0.33
GRIN2B Q13224 1/20 0.33
CTSL P07711 1/20 0.33
CTSK P43235 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL17037259 0.90 MAOA (0.42) AGTR2MAOAMAOBCRBNALDH1A1
SCHEMBL2665515 0.78 ALDH1A1 (0.50) AGTR2MAOAMAOBCRBNALDH1A1
SCHEMBL15605677 0.78 AGTR2 (0.41) AGTR2MAOAMAOBCRBNALDH1A1
SCHEMBL5548726 0.75 AGTR2 (0.41) AGTR2MAOAMAOBCRBNALDH1A1
SCHEMBL5548257 0.75 AGTR2 (0.41) AGTR2MAOAMAOBCRBNALDH1A1
SCHEMBL5543174 0.75 AGTR2 (0.41) AGTR2MAOAMAOBCRBNALDH1A1
SCHEMBL17040211 0.74 NPC1 (0.43) AGTR2MAOAMAOBCRBNALDH1A1
SCHEMBL17037238 0.71
SCHEMBL14591970 0.71 MAOA (0.37) AGTR2MAOAMAOBCRBNALDH1A1
SCHEMBL12488511 0.70 ALDH1A1 (0.44) AGTR2MAOAMAOBCRBNALDH1A1

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-20150238948-A1 POLYMERIC AND SOLID-SUPPORTED CATALYSTS, AND METHODS OF DIGESTING LIGNIN-CONTAINING MATERIALS USING SUCH CATALYSTS Midori Renewables, Inc. (US) 2015-08-27 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-20150238948-A1 POLYMERIC AND SOLID-SUPPORTED CATALYSTS, AND METHODS OF DIGESTING LIGNIN-CONTAINING MATERIALS USING SUCH CATALYSTS LCT, AGL, MGAM AGTR2 3536/4885MAOA 695/4885MAOB 508/4885

“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.