SCHEMBL3778800

SCHEMBL3778800

CCCc1cc(=O)oc2cc(S(=O)(=O)c3ccc(C)cc3)cc(O)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.65
▸ HTT P42858 7/20 0.65
▸ MAPT P10636 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ GAA P10253 4/20 0.52
▸ HPGD P15428 4/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ PPARG P37231 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ NCOA2 Q15596 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ KDM4E B2RXH2 7/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KDM4C Q9H3R0 1/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ POLB P06746 3/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ USP2 O75604 2/20 0.45

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
SCHEMBL3777051 0.87 ALDH1A1 (0.50) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL7875506 0.83 ALDH1A1 (0.67) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL7248801 0.82 ALDH1A1 (0.60) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL3775925 0.76 ALDH1A1 (0.83) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL31152138 0.76 ALDH1A1 (0.83) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL3776213 0.74 ALDH1A1 (0.40) ALDH1A1HTTMAPTGAAHPGD
SCHEMBL7153670 0.72 ALDH1A1 (0.48) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL13261899 0.69 ALDH1A1 (0.65) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL3784471 0.68 ALDH1A1 (1.00) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL7155946 0.68 ALDH1A1 (0.62) ALDH1A1HTTMAPTSMN1; SMN2GAA

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-2216335-B1 TETRACYCLODIPYRANYL COUMARINS AND THE ANTI-HIV AND ANTI-TUBERCULOSIS USES THEREOF INST MATERIA MEDICA CAMS (CN) 2014-03-12 — — EP disclosed
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
CN-101896492-A Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2010-11-24 — — CN 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 482/4885HTT 3221/4885MAPT 1245/4885

“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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