SCHEMBL7153122

SCHEMBL7153122

C=CCOc1c2c(c3c(CCC)cc(=O)oc3c1C(=O)CC)OC(C)(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ POLB P06746 4/20 0.39
▸ APAF1 O14727 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL7098427 0.88 MEN1 (0.46) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7103060 0.88 POLB (0.46) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7099367 0.85 MEN1 (0.46) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7149800 0.84 MEN1 (0.42) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7101207 0.83 KMT2A (0.58) MEN1KMT2APOLBALDH1A1
SCHEMBL6631891 0.83 MEN1 (0.46) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL6654459 0.80 CA12 (0.53) MEN1KMT2AAPAF1ALDH1A1MAPK1
SCHEMBL7123940 0.79 MEN1 (0.44) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL13261760 0.74 MEN1 (0.44) MEN1KMT2APOLBAPAF1ALDH1A1
SCHEMBL7097929 0.73 MEN1 (0.44) MEN1KMT2APOLBAPAF1ALDH1A1

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 MEN1 4150/4885KMT2A 4419/4885POLB 1031/4885

“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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