SCHEMBL3774669

SCHEMBL3774669

COc1cc(-c2[c]c(=O)oc3c2c2c(c4oc(C)cc(=O)c43)C=CC(C)(C)O2)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA7 P43166 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA13 Q8N1Q1 2/20 0.36
▸ PTGS1 P23219 4/20 0.35
▸ PTGS2 P35354 4/20 0.35
▸ CYP3A4 P08684 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ SLCO1B3 Q9NPD5 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SLCO1B1 Q9Y6L6 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL3777532 0.84 ALDH1A1 (0.43) ALDH1A1PDE4DL3MBTL1CA12CA1
SCHEMBL3776665 0.80 PDE4D (0.39) ALDH1A1PDE4DL3MBTL1CA12CA1
SCHEMBL3783870 0.80 PDE4D (0.34) ALDH1A1PDE4DL3MBTL1CA12CA9
SCHEMBL3774880 0.77 PDE4D (0.36) ALDH1A1PDE4DL3MBTL1CA12CA1
SCHEMBL3776057 0.77 PDE4D (0.36) ALDH1A1PDE4DL3MBTL1CA12CA1
SCHEMBL3774171 0.75 ALDH1A1 (0.38) ALDH1A1PDE4DL3MBTL1CA12CA1
SCHEMBL3774832 0.74 ALDH1A1 (0.35) ALDH1A1PDE4DL3MBTL1CA12CA1
SCHEMBL3782363 0.74 ALDH1A1 (0.32) ALDH1A1PDE4DL3MBTL1
SCHEMBL31238432 0.73 PDE4D (0.45) ALDH1A1PDE4DL3MBTL1CA12CA1
SCHEMBL31376255 0.68 ALDH1A1 (0.77) ALDH1A1PDE4DL3MBTL1CA12CA1

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
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 — — US claimed
EP-2216335-A1 TETRIACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) 2010-08-11 — — EP claimed
US-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-23 — — US disclosed
EP-2216335-A1 TETRIACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF Institute of Mataria Medica, Chinese Academy of Medical Sciences (CN) 2010-08-11 — — EP 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-20100324067-A1 TETRACYCLIC DIPYRANO-COUMARIN COMPOUNDS WITH ANTI-HIV AND ANTI-MYCOBACTERIUM TUBERCULOSIS ACTIVITIES TBCB, TBC1D15, TBC1D5 ALDH1A1 482/4885PDE4D 3983/4885L3MBTL1 1809/4885

“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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