SCHEMBL5156026

SCHEMBL5156026

CC1COC(C)(c2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRM2 P08172 5/20 0.36
CHRM4 P08173 5/20 0.36
CHRM5 P08912 5/20 0.36
CHRM1 P11229 5/20 0.36
CHRM3 P20309 5/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.34
ADRA1A P35348 3/20 0.34
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 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
SCHEMBL9876435 0.83 CHRNA1 (0.45) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL10839765 0.81 ESR2 (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL998716 0.80 CHRNB2 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5335969 0.79 CHRNB2 (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL17845052 0.79 CHRNB2 (0.36) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL10501603 0.78 GRIN1 (0.46) ADRA1AHTR1AADRA1DADRA1B
SCHEMBL28551735 0.77 ADRA1A (0.39) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL19939756 0.75 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11664188 0.75 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9133419 0.75 CHRM2 (0.33) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064618-A1 WATER- OR ACID-TRIGGERED FRAGRANCE-RELEASE FUNCTIONAL MONOMER AND POLYMER SYSTEM KIMBERLY CLARK CO (US) 2018-03-08 US disclosed
EP-1171405-B1 FUNCTIONALISED SOLID SUPPORT FOR ALPHA-OXOALDEHYDE SYNTHESIS PASTEUR INSTITUT (FR) 2007-01-03 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-20180064618-A1 WATER- OR ACID-TRIGGERED FRAGRANCE-RELEASE FUNCTIONAL MONOMER AND POLYMER SYSTEM RPL31, TAS2R31, RNF31 CHRNB2 1534/4885SLC6A2 4808/4885CHRNB4 1720/4885

“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.