SCHEMBL21892004

SCHEMBL21892004

CC12CC13CC3CC2OC(=O)/C=C/c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 7/20 0.55
ELANE P08246 2/20 0.49
MAPT P10636 5/20 0.47
GAA P10253 2/20 0.47
XBP1 P17861 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
HPGD P15428 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
APP P05067 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPM8 Q7Z2W7 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
SCHEMBL21892018 0.84 ALDH1A1 (0.58) KDM4EALDH1A1ELANEMAPTGAA
SCHEMBL16710296 0.84 ELANE (0.71) KDM4EALDH1A1ELANEMAPTGAA
SCHEMBL18106013 0.79 ALDH1A1 (0.59) KDM4EALDH1A1MAPTGAAXBP1
SCHEMBL29477338 0.77 ELANE (0.62) KDM4EALDH1A1ELANEMAPTGAA
SCHEMBL21892009 0.76 ALDH1A1 (0.56) KDM4EALDH1A1MAPTGAAABCG2
SCHEMBL21892001 0.75 ALDH1A1 (0.54) KDM4EALDH1A1MAPTGAAXBP1
SCHEMBL30259471 0.72 KDM4E (1.00) KDM4EALDH1A1MAPTGAAABCG2
SCHEMBL2486592 0.72 KDM4E (1.00) KDM4EALDH1A1MAPTGAAABCG2
SCHEMBL2486594 0.72 KDM4E (1.00) KDM4EALDH1A1MAPTGAAABCG2
SCHEMBL1232929 0.70 MAOB (0.66) KDM4EALDH1A1MAPTHPGDCYP2C19

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 KDM4E 90/4885ALDH1A1 1649/4885ELANE 1672/4885

“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.