SCHEMBL20009112

SCHEMBL20009112

CC(C)OC1CCC(c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.56
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43
HCRTR2 O43614 3/20 0.37
SIGMAR1 Q99720 2/20 0.37
SLC18A3 Q16572 1/20 0.37
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
SLC6A2 P23975 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 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
SCHEMBL21937593 0.89 FFAR4 (0.45) FFAR4AKR1C3AKR1C1SIGMAR1SLC18A3
SCHEMBL21937589 0.87 FFAR4 (0.43) FFAR4AKR1C3AKR1C1HCRTR2SIGMAR1
SCHEMBL16838837 0.79 AKR1C3 (0.47) FFAR4AKR1C3AKR1C1HCRTR2SIGMAR1
SCHEMBL10895189 0.73 AKR1C3 (0.61) AKR1C3AKR1C1SIGMAR1SLC18A3LMNA
SCHEMBL12733197 0.71 SLC18A3 (0.48) AKR1C3AKR1C1HCRTR2SIGMAR1SLC18A3
SCHEMBL22350946 0.71 SLC18A3 (0.48) AKR1C3AKR1C1HCRTR2SIGMAR1SLC18A3
SCHEMBL18710338 0.71 SLC18A3 (0.48) AKR1C3AKR1C1HCRTR2SIGMAR1SLC18A3
SCHEMBL18574578 0.71 SLC18A3 (0.48) AKR1C3AKR1C1SIGMAR1SLC18A3DRD2
SCHEMBL15299169 0.70 HCRTR2 (0.40) HCRTR2SIGMAR1SLC18A3DRD2
SCHEMBL11519380 0.70 SLC18A3 (0.52) AKR1C3AKR1C1SIGMAR1SLC18A3DRD2

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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 FFAR4 4258/4885AKR1C3 2261/4885AKR1C1 2328/4885

“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.