SCHEMBL21892002

SCHEMBL21892002

CCC1(C)C(OC(=O)/C=C/c2ccccc2)CC(C)C1(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.57
ABCB1 P08183 7/20 0.43
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 2/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.40
TRPC5 Q9UL62 1/20 0.39
POLB P06746 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL18106014 0.86 CYP2C19 (0.62) CYP2C19ABCB1NPSR1MEN1HTT
SCHEMBL21892001 0.81 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2
SCHEMBL21892003 0.80 CYP2C19 (0.65) CYP2C19ABCB1NPSR1MEN1HTT
SCHEMBL21470017 0.75 HPGD (0.34)
SCHEMBL22858362 0.73 LMNA (0.52) CYP2C19HTTKMT2ALMNA
SCHEMBL16710294 0.72 CYP2C19 (1.00) CYP2C19ABCB1NPSR1MEN1HTT
SCHEMBL28551481 0.72 CYP2C19 (1.00) CYP2C19ABCB1NPSR1MEN1HTT
SCHEMBL4237838 0.72 CYP2C19 (1.00) CYP2C19ABCB1NPSR1MEN1HTT
SCHEMBL8925834 0.72 CYP2C19 (1.00) CYP2C19ABCB1NPSR1MEN1HTT
SCHEMBL11532025 0.68 POLB (0.45) CYP2C19ABCB1NPSR1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-10918687-B2 Kava derived therapeutic compounds and methods of use thereof KLK5, KLK4, KLK2 CYP2C19 1201/4885ABCB1 1681/4885NPSR1 4640/4885
US-10624943-B2 Kava derived therapeutic compounds and methods of use thereof KLK5, KLK4, KLK2 CYP2C19 1201/4885ABCB1 1681/4885NPSR1 4640/4885

“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.