SCHEMBL6688542

SCHEMBL6688542

C=CC(C)Oc1cc2c(c3oc(=O)cc(CCC)c13)C(O)C(C)C(C)O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA13 Q8N1Q1 1/20 0.51
▸ HIF1A Q16665 8/20 0.37
▸ EPAS1 Q99814 8/20 0.37
▸ TSSK1B Q9BXA7 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL8689922 0.90 ALDH1A1 (0.55) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL8689317 0.90 ALDH1A1 (0.55) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL8692709 0.90 ALDH1A1 (0.55) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL7102356 0.90 ALDH1A1 (0.55) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL7103952 0.85 ALDH1A1 (0.50) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL6653961 0.85 ALDH1A1 (0.55) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL7103086 0.81 ALDH1A1 (0.50) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL7099007 0.80 ALDH1A1 (0.50) ALDH1A1APAF1MAPK1NPSR1CA12
SCHEMBL6675540 0.79 ALDH1A1 (0.57) ALDH1A1APAF1MAPK1NPSR1CA12
Calanolide A SCHEMBL140017 0.67 ALDH1A1 (1.00) ALDH1A1APAF1MAPK1NPSR1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379529-A2 PYRANOCOUMARIN COMPOUNDS AS A NOVEL PHARMACOPHORE WITH ANTI-TB ACTIVITY Sarawak Medichem Pharmaceuticals, Inc. (US) 2004-01-14 — — EP disclosed
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
WO-2002074777-A2 PYRANOCOUMARIN COMPOUNDS AS A NOVEL PHARMACOPHORE WITH ANTI-TB ACTIVITY SARAWAK MEDICHEM PHARMACEUTICALS, INC. (US) 2002-09-26 — — WO 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 ALDH1A1 840/4885APAF1 1859/4885MAPK1 1118/4885

“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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