SCHEMBL20528704

SCHEMBL20528704

CC(=O)C1CCC2(C)CCCC(C)C2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
ATP1A1 P05023 2/20 0.35
ATP1B1 P05026 2/20 0.35
ATP1A3 P13637 2/20 0.35
ATP1B2 P14415 2/20 0.35
ATP1A2 P50993 2/20 0.35
ATP1B3 P54709 2/20 0.35
FXYD2 P54710 2/20 0.35
ATP1A4 Q13733 2/20 0.35
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
NR1I3 Q14994 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
SCHEMBL22856761 1.00 SMN1; SMN2 (0.36) SMN1; SMN2POLBATP1A1ATP1B1ATP1A3
SCHEMBL22856760 1.00 SMN1; SMN2 (0.36) SMN1; SMN2POLBATP1A1ATP1B1ATP1A3
SCHEMBL21886077 1.00 SMN1; SMN2 (0.36) SMN1; SMN2POLBATP1A1ATP1B1ATP1A3
SCHEMBL21886099 1.00 SMN1; SMN2 (0.36) SMN1; SMN2POLBATP1A1ATP1B1ATP1A3
SCHEMBL21206166 1.00 SMN1; SMN2 (0.36) SMN1; SMN2POLBATP1A1ATP1B1ATP1A3
SCHEMBL21886380 1.00 SMN1; SMN2 (0.36) SMN1; SMN2POLBATP1A1ATP1B1ATP1A3
SCHEMBL21886034 1.00 SMN1; SMN2 (0.36) SMN1; SMN2POLBATP1A1ATP1B1ATP1A3
SCHEMBL21886381 1.00 SMN1; SMN2 (0.36) SMN1; SMN2POLBATP1A1ATP1B1ATP1A3
SCHEMBL20528759 1.00 SMN1; SMN2 (0.36) SMN1; SMN2POLBATP1A1ATP1B1ATP1A3
SCHEMBL21886027 1.00 SMN1; SMN2 (0.36) SMN1; SMN2POLBATP1A1ATP1B1ATP1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606901-B1 VETIVER ODORANT FIRMENICH & CIE (CH) 2021-08-11 EP claimed
US-10883066-B2 Vetiver odorant FIRMENICH SA (CH) 2021-01-05 US claimed
US-20200109348-A1 VETIVER ODORANT FIRMENICH SA (CH) 2020-04-09 US claimed
EP-3606901-A1 VETIVER ODORANT Firmenich SA (CH) 2020-02-12 EP claimed
WO-2018185012-A1 VETIVER ODORANT FIRMENICH SA (CH) 2018-10-11 WO claimed
EP-3606901-B1 VETIVER ODORANT FIRMENICH & CIE (CH) 2021-08-11 EP disclosed
US-10883066-B2 Vetiver odorant FIRMENICH SA (CH) 2021-01-05 US disclosed
US-20200109348-A1 VETIVER ODORANT FIRMENICH SA (CH) 2020-04-09 US disclosed
EP-3606901-A1 VETIVER ODORANT Firmenich SA (CH) 2020-02-12 EP disclosed
WO-2018185012-A1 VETIVER ODORANT FIRMENICH SA (CH) 2018-10-11 WO 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 (2 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-10883066-B2 Vetiver odorant VIPR1, VIPR2, BLVRB SMN1; SMN2 2141/4885POLB 1557/4885ATP1A1 2997/4885
US-20200109348-A1 VETIVER ODORANT VIPR1, VIPR2, BLVRB SMN1; SMN2 2141/4885POLB 1557/4885ATP1A1 2997/4885

“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.