SCHEMBL13496820

SCHEMBL13496820

CC(C)CCC(=O)OCCC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.39
▸ ADRA2A P08913 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ DGKA P23743 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ACHE P22303 1/20 0.33

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
SCHEMBL13729179 0.87 HTR2C (0.36) CA1ADRA2AADRA1ACYP19A1MAPT
SCHEMBL16941734 0.85 CA1 (0.36) CA1ADRA2AADRA1ACYP19A1MAPT
SCHEMBL14308491 0.82 CYP19A1 (0.33) CA1ADRA2AADRA1ACYP19A1
SCHEMBL4292777 0.81 CYP19A1 (0.49) CA1ADRA2AADRA1ACYP19A1MAPT
SCHEMBL31426916 0.80 CA1 (0.41) CA1ADRA2AADRA1ACYP19A1MAPT
SCHEMBL14296153 0.80 MMP1 (0.38) TDP1
SCHEMBL10074652 0.80 CYP19A1 (0.35) CA1CYP19A1TDP1
SCHEMBL14308492 0.79 CA1 (0.44) CA1ADRA2AADRA1ACYP19A1MAPT
SCHEMBL5500580 0.79 DGKA (0.48) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL25886908 0.79 CA1 (0.44) CA1ADRA2AADRA1ACYP19A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 — — CN claimed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 — — CN disclosed
US-7662977-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS SIGNALRX PHARMACEUTICALS, INC. 2008-08-07 — — US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 — — 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-20080188423-A1 PI-3 KINASE INHIBITOR PRODRUGS PI4KA, PI4KB, PI4K2B CA1 3274/4885ADRA2A 4283/4885ADRA1A 4265/4885

“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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