SCHEMBL29979983

SCHEMBL29979983

O=CC1C=Cc2ccccc2C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
IDO1 P14902 2/20 0.32
ANPEP P15144 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6251559 1.00 PARP1 (0.33) PARP1CA1CA2IDO1ANPEP
SCHEMBL19151732 0.81 PARP1 (0.33) PARP1CA1CA2IDO1
SCHEMBL2524855 0.74 PARP1 (0.36) PARP1CA1CA2IDO1ANPEP
SCHEMBL18026599 0.69 PARP1 (0.36) PARP1CA1CA2IDO1
SCHEMBL4824305 0.69 IDO1 (0.40) PARP1CA1CA2IDO1ANPEP
SCHEMBL15233622 0.69 PARP1 (0.36) PARP1CA1CA2IDO1ANPEP
SCHEMBL30317868 0.69 CYP19A1 (0.37) PARP1IDO1
SCHEMBL225642 0.69 PARP1 (0.36) PARP1CA1CA2IDO1
SCHEMBL8161816 0.69 CYP19A1 (0.37) PARP1IDO1
SCHEMBL29769887 0.69 IDO1 (0.40) PARP1CA1CA2IDO1ANPEP

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 PARP1 702/4885CA1 2509/4885CA2 2146/4885

“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.