SCHEMBL21292006

SCHEMBL21292006

CC/C=C/C(C)(C)C(=O)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
OXER1 Q8TDS5 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
SCHEMBL21292007 1.00 FFAR1 (0.30) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL9718359 0.78 ALDH1A1 (0.35) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL1786337 0.78 ALDH1A1 (0.31) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL9718363 0.78 ALDH1A1 (0.35) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL1786335 0.78 ALDH1A1 (0.31) FFAR1ALDH1A1MAPTCYP19A1RXRA
SCHEMBL11751510 0.73 LPAR2 (0.33)
SCHEMBL11751517 0.73 LPAR2 (0.33)
SCHEMBL13017864 0.73 DGAT1 (0.35) ALDH1A1OXER1
SCHEMBL11748066 0.73 DGAT1 (0.35) ALDH1A1OXER1
SCHEMBL11748059 0.73 DGAT1 (0.35) ALDH1A1OXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018226-B2 Perfuming compositions FIRMENICH SA (CH) 2024-06-25 US disclosed
US-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor FIRMENICH SA (CH) 2023-09-05 US 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
US-20200325415-A1 PERFUMING COMPOSITIONS FIRMENICH SA (CH) 2020-10-15 US disclosed
US-20190264133-A1 PERFUMING COMPOSITIONS FIRMENICH SA (CH) 2019-08-29 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 (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 FFAR1 133/4885ALDH1A1 831/4885MAPT 2487/4885
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 FFAR1 133/4885ALDH1A1 831/4885MAPT 2487/4885
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 FFAR1 133/4885ALDH1A1 831/4885MAPT 2487/4885

“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.