SCHEMBL16710296

SCHEMBL16710296

CC1(C)C2CCC1(C)C(OC(=O)/C=C/c1ccc3c(c1)OCO3)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.71
MAPT P10636 6/20 0.67
KDM4E B2RXH2 5/20 0.67
GAA P10253 2/20 0.67
XBP1 P17861 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
CYP2C19 P33261 2/20 0.67
ALDH1A1 P00352 6/20 0.55
HPGD P15428 3/20 0.48
MAOB P27338 3/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
APP P05067 1/20 0.44

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
SCHEMBL29477338 0.93 ELANE (0.62) ELANEMAPTKDM4EGAAXBP1
SCHEMBL21892004 0.84 KDM4E (0.55) ELANEMAPTKDM4EGAAXBP1
SCHEMBL18285081 0.83 ELANE (1.00) ELANEMAPTKDM4EGAAXBP1
SCHEMBL21892018 0.82 ALDH1A1 (0.58) ELANEMAPTKDM4EGAAXBP1
SCHEMBL31211469 0.82 CYP2C19 (0.80) ELANEMAPTKDM4EGAAXBP1
SCHEMBL5048036 0.82 CYP2C19 (0.80) ELANEMAPTKDM4EGAAXBP1
SCHEMBL29690272 0.82 CYP2C19 (0.80) ELANEMAPTKDM4EGAAXBP1
SCHEMBL5048033 0.82 CYP2C19 (0.80) ELANEMAPTKDM4EGAAXBP1
SCHEMBL29583383 0.82 CYP2C19 (0.80) ELANEMAPTKDM4EGAAXBP1
SCHEMBL18106013 0.81 ALDH1A1 (0.59) MAPTKDM4EGAAXBP1CYP2C19

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-20210228672-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2021-07-29 US disclosed
US-10918687-B2 Kava derived therapeutic compounds and methods of use thereof KUALITY HERBCEUTICS LLC (US) 2021-02-16 US disclosed
US-10624943-B2 Kava derived therapeutic compounds and methods of use thereof Kuality Herbceutics, LLC (US) 2020-04-21 US disclosed
US-20160279184-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2016-09-29 US disclosed
US-20160279184-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2016-09-29 US disclosed
WO-2015070226-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2015-05-14 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 (4 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-20210228672-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KLK5, KLK4, KLK2 ELANE 1672/4885MAPT 4171/4885KDM4E 90/4885
US-10918687-B2 Kava derived therapeutic compounds and methods of use thereof KLK5, KLK4, KLK2 ELANE 1672/4885MAPT 4171/4885KDM4E 90/4885
US-20160279184-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KLK5, KLK4, KLK2 ELANE 1672/4885MAPT 4171/4885KDM4E 90/4885
US-10624943-B2 Kava derived therapeutic compounds and methods of use thereof KLK5, KLK4, KLK2 ELANE 1672/4885MAPT 4171/4885KDM4E 90/4885

“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.