SCHEMBL20165771

SCHEMBL20165771

Cc1ccc2c(c1)CC(C)(CO)CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
S1PR1 P21453 6/20 0.34
SIGMAR1 Q99720 2/20 0.32
BACE1 P56817 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
NOTUM Q6P988 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL31012300 0.93 ADRA2A (0.39) ADRA2AALDH1A1CYP3A4S1PR1SIGMAR1
SCHEMBL30441385 0.93 ADRA2A (0.39) ADRA2AALDH1A1CYP3A4S1PR1SIGMAR1
SCHEMBL20165806 0.93 ADRA2A (0.39) ADRA2AALDH1A1CYP3A4S1PR1SIGMAR1
SCHEMBL28423865 0.87 ADRA2A (0.43) ADRA2AALDH1A1CYP3A4S1PR1SIGMAR1
SCHEMBL245744 0.86 ADRA2A (0.36) ADRA2AALDH1A1CYP3A4DRD2DRD1
SCHEMBL28207065 0.86 ADRA2A (0.36) ADRA2AALDH1A1CYP3A4DRD2DRD1
SCHEMBL29364253 0.86 ADRA2A (0.36) ADRA2AALDH1A1CYP3A4DRD2DRD1
SCHEMBL28207585 0.86 ADRA2A (0.36) ADRA2AALDH1A1CYP3A4DRD2DRD1
SCHEMBL20634150 0.83 ADRA2A (0.46) ADRA2AALDH1A1CYP3A4SIGMAR1BACE1
SCHEMBL20633474 0.75 ADRA2A (0.50) ADRA2AALDH1A1CYP3A4SIGMAR1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2023-07-27 US claimed
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2020-11-05 US claimed
EP-3713610-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR Firmenich SA (CH) 2020-09-30 EP claimed
WO-2019101821-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2019-05-31 WO claimed
US-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor FIRMENICH SA (CH) 2023-09-05 US disclosed
EP-3541435-B1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR FIRMENICH & CIE (CH) 2023-08-30 EP disclosed
EP-4218837-A1 VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR Firmenich SA (CH) 2023-08-02 EP disclosed
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2023-07-27 US disclosed
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2020-11-05 US disclosed
EP-3713610-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR Firmenich SA (CH) 2020-09-30 EP disclosed
EP-3541435-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR Firmenich SA (CH) 2019-09-25 EP disclosed
WO-2019101821-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2019-05-31 WO disclosed
WO-2018091686-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE PERCEPTION OF FECAL MALODOUR FIRMENICH SA (CH) 2018-05-24 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 (3 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-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor TAS2R8, TRPA1, TAS2R10 ADRA2A 60/4885ALDH1A1 831/4885CYP3A4 145/4885
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 ADRA2A 60/4885ALDH1A1 831/4885CYP3A4 145/4885
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 ADRA2A 60/4885ALDH1A1 831/4885CYP3A4 145/4885

“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.