SCHEMBL21892001

SCHEMBL21892001

CCC1(C)C(OC(=O)/C=C/c2ccc3c(c2)OCO3)CC(C)C1(C)C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 8/20 0.54
HPGD P15428 6/20 0.51
TRPM8 Q7Z2W7 2/20 0.48
GAA P10253 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
APP P05067 1/20 0.46
NPC1 O15118 1/20 0.46
MAOB P27338 1/20 0.45
XBP1 P17861 1/20 0.45

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
SCHEMBL18106013 0.89 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDTRPM8GAA
SCHEMBL21892018 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDTRPM8GAA
SCHEMBL21892009 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDTRPM8GAA
SCHEMBL21892002 0.81 CYP2C19 (0.57) MEN1KMT2ASMN1; SMN2
SCHEMBL16710296 0.77 ELANE (0.71) ALDH1A1KDM4EHPGDGAAABCG2
SCHEMBL21892004 0.75 KDM4E (0.55) ALDH1A1KDM4EHPGDTRPM8GAA
SCHEMBL34468091 0.73 KDM4E (0.72) ALDH1A1KDM4EHPGDTRPM8GAA
SCHEMBL3565699 0.73 KDM4E (0.72) ALDH1A1KDM4EHPGDTRPM8GAA
SCHEMBL3565700 0.73 KDM4E (0.72) ALDH1A1KDM4EHPGDTRPM8GAA
SCHEMBL11698809 0.72 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDTRPM8GAA

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 3 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

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-20210228672-A1 KAVA DERIVED THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KLK5, KLK4, KLK2 ALDH1A1 1649/4885KDM4E 90/4885HPGD 495/4885
US-10918687-B2 Kava derived therapeutic compounds and methods of use thereof KLK5, KLK4, KLK2 ALDH1A1 1649/4885KDM4E 90/4885HPGD 495/4885
US-10624943-B2 Kava derived therapeutic compounds and methods of use thereof KLK5, KLK4, KLK2 ALDH1A1 1649/4885KDM4E 90/4885HPGD 495/4885

“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.