Nootkatone

Nootkatone

SCHEMBL335639

C=C(C)[C@H]1CCC2=CC(=O)C[C@H](C)[C@@]2(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 SCHEMBL10146951 1.00 CYP2C19 (1.00) CYP2C19SHBGALDH1A1SMN1; SMN2LMNA
Nootkatone SCHEMBL309679 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668113-B1 LACCASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORP (US) 2013-06-19 EP disclosed
US-8097442-B2 Laccases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2012-01-17 US disclosed
US-20100267110-A1 LACCASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2010-10-21 US disclosed
US-7741089-B2 Laccases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2010-06-22 US disclosed
US-20070105112-A1 Laccases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION 2007-05-10 US disclosed
EP-1668113-A2 LACCASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2006-06-14 EP disclosed
WO-2005021714-A2 LACCASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DIVERSA CORPORATION (US) 2005-03-10 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-20100267110-A1 LACCASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM RNGTT, RNASEL, UNG CYP2C19 3692/4885SHBG 4255/4885ALDH1A1 704/4885
US-20070105112-A1 Laccases, nucleic acids encoding them and methods for making and using them RNGTT, TRDMT1, DNTT CYP2C19 2680/4885SHBG 3073/4885ALDH1A1 1031/4885

“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.