SCHEMBL19939756

SCHEMBL19939756

CC1(c2ccccc2)OCC(CCl)O1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.42
CHRM4 P08173 6/20 0.42
CHRM5 P08912 6/20 0.42
CHRM1 P11229 6/20 0.42
CHRM3 P20309 6/20 0.42
ADRA1A P35348 6/20 0.39
HTR1A P08908 5/20 0.39
ADRA1D P25100 4/20 0.39
ADRA1B P35368 4/20 0.39
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL12661559 0.87 CHRNA1 (0.38)
SCHEMBL9529979 0.87 CHRNA1 (0.38)
SCHEMBL12662785 0.85 NPSR1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11664188 0.83 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9314380 0.83 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28545081 0.83 GRIN1 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11448804 0.79 ADRA1A (0.54) ADRA1AHTR1AADRA1DADRA1B
SCHEMBL13502552 0.78 GRIN1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12132845 0.77 GRIN1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12132844 0.77 GRIN1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20180064618-A1 WATER- OR ACID-TRIGGERED FRAGRANCE-RELEASE FUNCTIONAL MONOMER AND POLYMER SYSTEM KIMBERLY CLARK CO (US) 2018-03-08 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-20180064618-A1 WATER- OR ACID-TRIGGERED FRAGRANCE-RELEASE FUNCTIONAL MONOMER AND POLYMER SYSTEM RPL31, TAS2R31, RNF31 CHRM2 1512/4885CHRM4 1090/4885CHRM5 1270/4885

“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.