SCHEMBL6628817

SCHEMBL6628817

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ CA12 O43570 2/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ CA7 P43166 2/20 0.58
▸ CA9 Q16790 2/20 0.58
▸ APAF1 O14727 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ CA13 Q8N1Q1 1/20 0.58
▸ PDE4D Q08499 2/20 0.42
▸ HIF1A Q16665 5/20 0.39
▸ EPAS1 Q99814 5/20 0.39
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ SPR P35270 1/20 0.35
▸ HCAR2 Q8TDS4 2/20 0.35
▸ TSSK1B Q9BXA7 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL7103733 0.89 ALDH1A1 (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL6650989 0.87 CA12 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL8927758 0.85 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL8927755 0.85 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL6679208 0.84 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA7
SCHEMBL7144109 0.82 CA12 (0.51) ALDH1A1CA12CA1CA2CA7
SCHEMBL8926859 0.82 ALDH1A1 (0.59) ALDH1A1CA12CA1CA2CA7
SCHEMBL6652226 0.82 ALDH1A1 (0.60) ALDH1A1CA12CA1CA2CA7
SCHEMBL6628820 0.81 ALDH1A1 (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL14220191 0.81 ALDH1A1 (0.57) ALDH1A1CA12CA1CA2CA7

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 840/4885CA12 4852/4885CA1 4872/4885

“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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