SCHEMBL24376831

SCHEMBL24376831

CC(C)c1coc(=O)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TRPA1 O75762 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
TYR P14679 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
GABRA1 P14867 5/20 0.36
GABRB2 P47870 3/20 0.36
DAO P14920 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8313465 0.71
SCHEMBL67859 0.69 LMNA (0.58) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL10032702 0.68 TYR (0.51) TYRCA1CA2DAOKDM4E
SCHEMBL71456 0.66 LMNA (0.56) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL13485432 0.66 TYR (0.36) LMNATYRDAOTP53CYP1A2
SCHEMBL28217167 0.66
SCHEMBL13773186 0.64 LMNA (0.54) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL11144707 0.64 LMNA (0.54) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL10328545 0.64 FABP3 (0.41) KDM4E
Bicarbonate SCHEMBL11611377 0.64 LMNA (0.48) LMNATRPA1CHRM1SLC6A2ADRA1A

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-20220127255-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (GB) 2022-04-28 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-20220127255-A1 HERBICIDAL COMPOUNDS DDT, HDHD5, HPD LMNA 4081/4885TRPA1 1581/4885CHRM1 1318/4885

“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.