SCHEMBL25307651

SCHEMBL25307651

c1cn(CCc2ccc3c(c2)OCO3)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.53
TAAR1 Q96RJ0 1/20 0.50
CYP19A1 P11511 4/20 0.49
TBXAS1 P24557 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.46
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
HMOX1 P09601 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL19471985 0.85 CYP19A1 (0.54) CYP19A1TBXAS1MAPK1KDM4EL3MBTL1
SCHEMBL13108504 0.83 CYP19A1 (0.58) QPCTCYP19A1TBXAS1ALOX15HMOX1
SCHEMBL9240603 0.81 QPCT (0.60) QPCTCYP19A1MAPK1ALOX15NOS1
SCHEMBL9236717 0.78 QPCT (0.57) QPCTCYP19A1MAPK1ALOX15NOS2
SCHEMBL9237032 0.76 HTT (0.61) QPCTKMT2ANOS1KDM4E
SCHEMBL21637747 0.76 SMN1; SMN2 (0.64) QPCTCYP19A1KMT2AMAPK1ALOX15
SCHEMBL108087 0.74 TAAR1 (0.77) TAAR1
SCHEMBL20689718 0.73 ADRA1D (0.65) TAAR1
SCHEMBL28150001 0.73 CYP19A1 (0.50) CYP19A1
SCHEMBL7067249 0.72 NOS2 (0.57) MAPK1ALOX15NOS1NOS2

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-11680062-B2 3,4-methylenedioxyphenylimidazolylethanonexime ether derivative, preparation method and use thereof, and drug for the treatment of Alzheimer's disease NORTHWEST A & F UNIVERSITY (CN) 2023-06-20 US claimed

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-11680062-B2 3,4-methylenedioxyphenylimidazolylethanonexime ether derivative, preparation method and use thereof, and drug for the treatment of Alzheimer's disease NOS3, CYP51A1, NOS1 QPCT 599/4885TAAR1 3506/4885CYP19A1 71/4885

“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.