SCHEMBL21001034

SCHEMBL21001034

CC(=O)OC1CCCCC12CC(C)=C(C)C2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
EP300 Q09472 1/20 0.31
HIF1A Q16665 1/20 0.31
CREBBP Q92793 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ACHE P22303 1/20 0.30
POLB P06746 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL31418687 1.00 CYP3A4 (0.33) CYP3A4EP300HIF1ACREBBPCHRM2
SCHEMBL17854737 0.84 CYP2C19 (0.37) CYP3A4CHRM2CHRM4CHRM1CHRM3
SCHEMBL17858940 0.74 CYP3A4 (0.31) CYP3A4CHRM2CHRM4CHRM1CHRM3
SCHEMBL30441197 0.73 CYP3A4 (0.33) CYP3A4POLB
SCHEMBL21001087 0.73 CYP3A4 (0.33) CYP3A4POLB
SCHEMBL27831207 0.73 CYP3A4 (0.43) CYP3A4CHRM2CHRM4CHRM1CHRM3
SCHEMBL5199777 0.72 EP300 (0.32) CYP3A4EP300HIF1ACREBBP
SCHEMBL10046778 0.72 CYP3A4 (0.39) CYP3A4ACHE
SCHEMBL8444775 0.69 ALOX15 (0.39) CYP3A4EP300HIF1ACREBBPCHRM2
SCHEMBL2990121 0.69 ALDH1A1 (0.33) CYP3A4CHRM2CHRM4CHRM1CHRM3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066690-A1 Spiro Compounds as Malodor Counteracting Ingredients FIRMENICH SA (CH) 2025-02-27 US claimed
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR FIRMENICH SA (CH) 2023-07-27 US claimed
US-20230159853-A1 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2023-05-25 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-3713609-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2020-09-30 EP 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
WO-2019101814-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 WO claimed
EP-4707270-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2026-03-11 EP disclosed
EP-3713609-B1 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH & CIE (CH) 2025-08-06 EP disclosed
US-20250066690-A1 Spiro Compounds as Malodor Counteracting Ingredients FIRMENICH SA (CH) 2025-02-27 US disclosed
US-12180434-B2 Spiro compounds as malodor counteracting ingredients FIRMENICH SA (CH) 2024-12-31 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-11744785-B2 Use of volatile compositions to limit or eliminate the perception of malodor FIRMENICH SA (CH) 2023-09-05 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-3713609-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS Firmenich SA (CH) 2020-09-30 EP disclosed
EP-3713610-A2 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR Firmenich SA (CH) 2020-09-30 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-2019101814-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 WO disclosed
WO-2019101814-A2 SPIRO COMPOUNDS AS MALODOR COUNTERACTING INGREDIENTS FIRMENICH SA (CH) 2019-05-31 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 (5 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 CYP3A4 145/4885EP300 3871/4885HIF1A 3270/4885
US-20250066690-A1 Spiro Compounds as Malodor Counteracting Ingredients LPO, SORD, FOXO1 CYP3A4 144/4885EP300 2952/4885HIF1A 2807/4885
US-20200345601-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 CYP3A4 145/4885EP300 3871/4885HIF1A 3270/4885
US-20230233425-A1 USE OF VOLATILE COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF MALODOR TAS2R8, TRPA1, TAS2R10 CYP3A4 145/4885EP300 3871/4885HIF1A 3270/4885
US-12180434-B2 Spiro compounds as malodor counteracting ingredients LPO, SORD, FOXO1 CYP3A4 144/4885EP300 2952/4885HIF1A 2807/4885

“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.