SCHEMBL6759798

SCHEMBL6759798

CCC(=O)Oc1c(O)cc(C(=O)OC)c(C(=O)CC)c1OC(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HMGCR P04035 1/20 0.39
▸ CA12 O43570 5/20 0.37
▸ CA1 P00915 5/20 0.37
▸ CA2 P00918 5/20 0.37
▸ CA7 P43166 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ CA14 Q9ULX7 5/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ GAA P10253 5/20 0.37
▸ LMNA P02545 4/20 0.37
▸ XDH P47989 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NFKB1 P19838 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
SCHEMBL6759715 0.87 POLB (0.50) POLBKMT2ACYP3A4MEN1PTGS1
SCHEMBL6764046 0.85 KMT2A (0.42) POLBKMT2ACYP3A4MEN1PTGS1
SCHEMBL6762250 0.85 ALDH1A1 (0.42) POLBKMT2ACYP3A4MEN1PTGS1
SCHEMBL6762243 0.83 TDP1 (0.43) POLBKMT2AMEN1HMGCRCA12
SCHEMBL6762745 0.83 ESR1 (0.45) CYP3A4TDP1L3MBTL1TSHR
SCHEMBL6763127 0.82 TSHR (0.46) CYP3A4LMNATDP1L3MBTL1TSHR
SCHEMBL6761434 0.81 FFAR1 (0.40) KMT2AMEN1KDM4EL3MBTL1HTT
SCHEMBL6766244 0.80 PLA2G2A (0.46) KMT2AMEN1HTT
SCHEMBL6766721 0.80 TDP1 (0.49) POLBKMT2ACYP3A4MEN1GAA
SCHEMBL6762804 0.79 PLA2G2A (0.48) KMT2AMEN1HTT

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-20040247698-A1 Erectile Dysfunction Treatment VALENZUELA CORTES CARMEN MARIA (CL) 2004-12-09 — — 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-20040247698-A1 Erectile Dysfunction Treatment PDE3A, PDE3B, PDE12 POLB 1141/4885KMT2A 2816/4885CYP3A4 417/4885

“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.

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