Nootkatone

Nootkatone

SCHEMBL309679

C=C(C)C1CCC2=CC(=O)CC(C)C2(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 1.00
SHBG P04278 7/20 0.37
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
LMNA P02545 5/20 0.37
MAPK1 P28482 4/20 0.37
SERPINA6 P08185 4/20 0.37
CYP3A4 P08684 3/20 0.37
TSHR P16473 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PMP22 Q01453 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
NR3C1 P04150 3/20 0.37
CYP2C9 P11712 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP17A1 P05093 2/20 0.37
PGR P06401 2/20 0.37
ADORA3 P0DMS8 2/20 0.37

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
Nootkatone SCHEMBL3276192 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL14137791 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL110855 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL335639 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL10146951 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
SCHEMBL16188788 0.87 CYP2C19 (0.78) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
SCHEMBL6857288 0.87 CYP2C19 (0.78) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
SCHEMBL20784005 0.85 CYP2C19 (0.74) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
SCHEMBL24434436 0.84 CYP2C19 (0.73) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL21328500 0.82 CYP2C19 (0.68) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559703-B2 Fragrance composition GIVAUDAN SA (CH) 2026-02-24 US claimed
EP-4695016-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-02-18 EP claimed
EP-4175486-B1 COMPOSITION COMPRISING AN OIL PHASE AND AN AQUEOUS PHASE GIVAUDAN SA (CH) 2025-08-27 EP claimed
EP-4593977-A1 PRODUCTS AND METHODS RELATED TO THE DISTILLATION OF MOLECULES FROM AEROSOLS Natural Extraction Systems, LLC (US) 2025-08-06 EP claimed
US-20250044538-A1 OPTICAL CONTAINER OF OPTICAL COMPONENT FORMED FROM POLYMERIC COMPOSITION WITH AVERSIVE ADDITIVE CORNING RESEARCH & DEVELOPMENT CORPORATION 2025-02-06 US claimed
WO-2024213536-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2024-10-17 WO claimed
WO-2024213507-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-10-17 WO claimed
EP-4446001-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2024-10-16 EP claimed
US-20240285512-A1 ORAL CARE COMPOSITIONS FIRMENICH SA (CH) 2024-08-29 US claimed
US-20240189737-A1 COMPOSITIONS FOR LOW-TEMPERATURE DISTILLATION OF HIGH-BOILING-POINT MOLECULES Natural Extraction Systems, LLC 2024-06-13 US claimed
US-20170073614-A1 Perfume Compositions GIVAUDAN SA (CH) 2017-03-16 US claimed
EP-2986136-A1 COMPOSITION AND METHOD FOR PREVENTING, REDUCING, ALLEVIATING, OR TREATING IDIOPATHIC VOMITING The Iams Company (US) 2016-02-24 EP claimed
CN-105188400-A Compositions and methods for preventing, reducing, alleviating, or treating idiopathic vomiting IAMS COMPANY 2015-12-23 CN claimed
WO-2015181257-A2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2015-12-03 WO claimed
EP-2424355-B1 BED BUG CONTROL AND REPELLENCY BEDOUKIAN RES INC (US) 2015-03-18 EP claimed
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP claimed
US-20140271949-A1 Composition and Method for Preventing, Reducing, Alleviating or Treating Idiopathic Vomiting THE IAMS COMPANY (US) 2014-09-18 US claimed
WO-2014143539-A1 COMPOSITION AND METHOD FOR PREVENTING, REDUCING, ALLEVIATING, OR TREATING IDIOPATHIC VOMITING THE IAMS COMPANY (US) 2014-09-18 WO claimed
US-8551510-B2 Bed bug control and repellency BEDOUKIAN RESEARCH, INC. (US) 2013-10-08 US claimed
EP-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP claimed

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-12559703-B2 Fragrance composition DHCR24, OPRD1, OR10J3 CYP2C19 358/4885SHBG 434/4885ALDH1A1 205/4885

“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.