SCHEMBL21097353

SCHEMBL21097353

COC1CCC(C)C(C(=O)OC(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4B Q07343 1/20 0.31
BTK Q06187 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL21097355 1.00 MAPK1 (0.34) MAPK1CHRM2CHRM1CHRM3HRH3
SCHEMBL21162375 0.79 PPM1B (0.39) MEN1KMT2A
SCHEMBL295484 0.79 MAPK1 (0.43) MAPK1CHRM2CHRM1CHRM3HRH3
SCHEMBL18346713 0.79 MAPK1 (0.43) MAPK1CHRM2CHRM1CHRM3HRH3
SCHEMBL19134374 0.79 MAPK1 (0.43) MAPK1CHRM2CHRM1CHRM3HRH3
SCHEMBL18828485 0.79 MAPK1 (0.43) MAPK1CHRM2CHRM1CHRM3HRH3
SCHEMBL910314 0.79 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3HRH3
SCHEMBL30718013 0.79 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3HRH3
SCHEMBL15058695 0.79 BTK (0.38) MAPK1CHRM2CHRM1CHRM3MEN1
SCHEMBL12521652 0.79 HRH3 (0.39) MAPK1CHRM2CHRM1CHRM3HRH3

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-10343974-B1 Cyclohexanol ethers as mediterranean fruit fly attractants The United States of America, as represented by The Secretary of America (US) 2019-07-09 US claimed
US-10343974-B1 Cyclohexanol ethers as mediterranean fruit fly attractants The United States of America, as represented by The Secretary of America (US) 2019-07-09 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-10343974-B1 Cyclohexanol ethers as mediterranean fruit fly attractants C3AR1, CERS2, C1S MAPK1 2765/4885CHRM2 21/4885CHRM1 35/4885

“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.