SCHEMBL21892015

SCHEMBL21892015

COC1=CC(O)OC(CCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
DRD1 P21728 1/20 0.41
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CYP2C19 P33261 1/20 0.39
SLC18A2 Q05940 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL20150695 0.87 CYP3A4 (0.43) CYP3A4DRD4DRD2DRD3SLC18A2
SCHEMBL20150693 0.86 CYP3A4 (0.46) CYP3A4SLC6A2SLC6A4SLC6A3DRD1
SCHEMBL20150779 0.76 CYP3A4 (0.47) CYP3A4SLC6A2SLC6A4SLC6A3DRD1
Dihydrokawain SCHEMBL18214381 0.72 CYP3A4 (1.00) CYP3A4SLC6A2SLC6A4SLC6A3DRD4
Dihydrokawain SCHEMBL2743647 0.72 CYP3A4 (1.00) CYP3A4SLC6A2SLC6A4SLC6A3DRD4
Dihydrokawain SCHEMBL5672433 0.72 CYP3A4 (1.00) CYP3A4SLC6A2SLC6A4SLC6A3DRD4
SCHEMBL22335739 0.72 TSHR (0.40) NPC1RAB9A
SCHEMBL20150714 0.71 CYP3A4 (0.39) CYP3A4SLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL24137898 0.66 MEN1 (0.62) CYP3A4SLC6A2SLC6A4SLC6A3DRD4
SCHEMBL2077308 0.66 MEN1 (0.62) CYP3A4SLC6A2SLC6A4SLC6A3DRD4

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 CYP3A4 745/4885SLC6A2 2985/4885SLC6A4 3243/4885

“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.