SCHEMBL20811248

SCHEMBL20811248

CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)C1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.59
NQO1 P15559 6/20 0.51
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CES2 O00748 1/20 0.44
GMNN O75496 1/20 0.44
TDP2 O95551 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
HSPD1 P10809 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
POR P16435 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
SCHEMBL103949 0.82 IDO1 (0.53) IDO1NQO1KDM4EMEN1CES2
SCHEMBL18791100 0.81 IDO1 (0.55) IDO1NQO1KDM4EMEN1CES2
SCHEMBL29979451 0.80 IDO1 (0.44) IDO1NQO1KDM4EMEN1CES2
SCHEMBL18791133 0.78 IDO1 (0.63) IDO1NQO1KDM4EMEN1CES2
SCHEMBL20811039 0.75 NQO1 (0.76) IDO1NQO1KDM4EMEN1CES2
SCHEMBL3618661 0.74 IDO1 (1.00) IDO1NQO1KDM4EMEN1CES2
SCHEMBL10141791 0.74 IDO1 (0.55) IDO1NQO1KDM4EMEN1CES2
SCHEMBL18791099 0.74 NQO1 (0.46) IDO1NQO1KDM4EMEN1CES2
SCHEMBL20811355 0.73 NQO1 (0.76) IDO1NQO1MEN1MAPTRAB9A
SCHEMBL23457125 0.71 NQO1 (0.73) IDO1NQO1

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
US-20210161855-A1 5-LIPOXYGENASE ANTAGONISTS Instituto de Medicina Molecular João Lobo Antunes (PT) 2021-06-03 US disclosed
WO-2019050422-A1 5-LIPOXYGENASE ANTAGONISTS INSTITUTO DE MEDICINA MOLECULAR (PT) 2019-03-14 WO 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-20210161855-A1 5-LIPOXYGENASE ANTAGONISTS ALOX5, ALOX15, ALOX15B IDO1 342/4885NQO1 85/4885KDM4E 1552/4885

“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.