SCHEMBL21892003

SCHEMBL21892003

CC1CC(OC(=O)/C=C/c2ccccc2)C2(C)CC12C

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.65
ELANE P08246 2/20 0.46
ABCB1 P08183 10/20 0.46
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
MCL1 Q07820 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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 0.85 CYP2C19 (0.62) CYP2C19ELANEABCB1NPSR1KDM4E
SCHEMBL21892002 0.80 CYP2C19 (0.57) CYP2C19ELANEABCB1NPSR1MCL1
SCHEMBL21892018 0.79 ALDH1A1 (0.58) CYP2C19ELANEKDM4EGAAMAPT
SCHEMBL8925834 0.79 CYP2C19 (1.00) CYP2C19ELANEABCB1NPSR1KDM4E
SCHEMBL16710294 0.79 CYP2C19 (1.00) CYP2C19ELANEABCB1NPSR1KDM4E
SCHEMBL28551481 0.79 CYP2C19 (1.00) CYP2C19ELANEABCB1NPSR1KDM4E
SCHEMBL4237838 0.79 CYP2C19 (1.00) CYP2C19ELANEABCB1NPSR1KDM4E
SCHEMBL23707006 0.71 MAPT (0.57) CYP2C19KDM4EMAPTKMT2AMEN1
SCHEMBL5354624 0.71 CYP2C19 (0.51) CYP2C19ABCB1KDM4EMAPTKMT2A
SCHEMBL5354631 0.71 CYP2C19 (0.51) CYP2C19ABCB1KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-10624943-B2 Kava derived therapeutic compounds and methods of use thereof KLK5, KLK4, KLK2 CYP2C19 1201/4885ELANE 1672/4885ABCB1 1681/4885

“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.