SCHEMBL23027113

SCHEMBL23027113

Cc1ncc2c(c1O)C(OC(C)C)OC2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
P2RX3 P56373 1/20 0.37
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL23003285 0.99 KDM4E (0.36) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL26655727 0.81 BCHE (0.32) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL26655281 0.80 KDM4E (0.37) KDM4EMEN1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL23003281 0.79 KDM4E (0.36) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL21215162 0.77 APP (0.31)
SCHEMBL26655604 0.76
SCHEMBL26654935 0.75 KDM4E (0.42) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL13107698 0.75 KDM4E (0.42) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL26655637 0.75 NFE2L2 (0.34) KDM4EMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL4442904 0.74 KDM4E (0.41) KDM4EMEN1CYP1A2CYP2D6CYP2C19

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
EP-3743410-B1 USE OF PYRIDOXAL ACETAL SALTS AS WATER-TRIGGERED PROFRAGRANCES FLORIDA GULF COAST UNIV BOARD OF TRUSTEES (US) 2023-10-25 EP disclosed
US-20210053980-A1 Use of Pyridoxal Acetal Salts as Water-Triggered Profragrances VITACHEM LLC (US) 2021-02-25 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-20210053980-A1 Use of Pyridoxal Acetal Salts as Water-Triggered Profragrances PLPBP, PNPO, VKORC1 KDM4E 3404/4885MEN1 3458/4885CYP1A2 410/4885

“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.