SCHEMBL7102400

SCHEMBL7102400

CCCc1cc(=O)oc2c(C(=O)CC)c(OCCO)c3c(c12)OC(C)(C)C=C3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.54
▸ CA1 P00915 4/20 0.54
▸ CA7 P43166 4/20 0.54
▸ CA9 Q16790 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ CA13 Q8N1Q1 3/20 0.54
▸ CA2 P00918 2/20 0.54
▸ APAF1 O14727 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ HIF1A Q16665 3/20 0.36
▸ EPAS1 Q99814 3/20 0.36
▸ PDE4D Q08499 2/20 0.35
▸ SPR P35270 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL6630866 0.89 CA12 (0.58) CA12CA1CA7CA9ALDH1A1
SCHEMBL6654459 0.88 CA12 (0.53) CA12CA1CA7CA9ALDH1A1
SCHEMBL6652226 0.84 ALDH1A1 (0.60) CA12CA1CA7CA9ALDH1A1
SCHEMBL6679208 0.84 ALDH1A1 (0.52) CA12CA1CA7CA9ALDH1A1
SCHEMBL7098347 0.83 CA12 (0.51) CA12CA1CA7CA9ALDH1A1
SCHEMBL31036121 0.81 CA12 (0.55) CA12CA1CA7CA9ALDH1A1
SCHEMBL7098427 0.80 MEN1 (0.46) ALDH1A1APAF1MAPK1NPSR1MEN1
SCHEMBL13062753 0.75 ALDH1A1 (0.59) CA12CA1CA7CA9ALDH1A1
SCHEMBL14220191 0.75 ALDH1A1 (0.57) CA12CA1CA7CA9ALDH1A1
SCHEMBL6650989 0.74 CA12 (0.55) CA12CA1CA7CA9ALDH1A1

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-6670383-B2 Such as 5-(2-hydroxy-ethoxy)-2,2-dimethyl-6-propionyl-10-propyl-2H-pyrano(2,3 -f)chromen-8-one for treatment of Mycobacterium infection, AIDS, and tuburculosis ADVANCED LIFE SCIENCES, INC. 2003-12-30 — — US disclosed
US-20030083369-A1 Pyranocoumarin compounds as a novel pharmacophore with anti-TB activity THE LEADERS BANK 2003-05-01 — — 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-20030083369-A1 Pyranocoumarin compounds as a novel pharmacophore with anti-TB activity BBOX1, CYP51A1, HADHB CA12 4852/4885CA1 4872/4885CA7 3808/4885

“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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