SCHEMBL29979451

SCHEMBL29979451

CC(=O)C1(C(C)=O)OC2=C(C(=O)C(=O)c3ccccc32)C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.44
NQO1 P15559 4/20 0.40
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CES2 O00748 1/20 0.38
GMNN O75496 1/20 0.38
TDP2 O95551 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSPD1 P10809 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL22786001 0.90 IDO1 (0.56) IDO1MEN1ALDH1A1MAPTKMT2A
SCHEMBL20811248 0.80 IDO1 (0.59) IDO1NQO1MEN1ALDH1A1MAPT
SCHEMBL103949 0.69 IDO1 (0.53) IDO1NQO1MEN1ALDH1A1MAPT
SCHEMBL18791100 0.68 IDO1 (0.55) IDO1NQO1MEN1ALDH1A1MAPT
SCHEMBL18791133 0.66 IDO1 (0.63) IDO1NQO1MEN1ALDH1A1MAPT
SCHEMBL20811039 0.63 NQO1 (0.76) IDO1NQO1MEN1ALDH1A1MAPT
Anthraquinone SCHEMBL11698233 0.62 MEN1 (0.71) IDO1MEN1ALDH1A1MAPTKMT2A
SCHEMBL3618661 0.62 IDO1 (1.00) IDO1NQO1MEN1ALDH1A1MAPT
SCHEMBL14439353 0.62 MEN1 (0.41) IDO1NQO1MEN1ALDH1A1MAPT
SCHEMBL8029969 0.62 MEN1 (0.41) IDO1NQO1MEN1ALDH1A1MAPT

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-20220315551-A1 2-ALKYLCARBONYL[2,3-b]FURAN-4,9-DIONE PRODUCTION METHOD AND PRODUCTION INTERMEDIATE THEREFOR SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-10-06 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-20220315551-A1 2-ALKYLCARBONYL[2,3-b]FURAN-4,9-DIONE PRODUCTION METHOD AND PRODUCTION INTERMEDIATE THEREFOR WEE2, DHPS, WEE1 IDO1 2501/4885NQO1 7/4885MEN1 2091/4885

“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.