SCHEMBL7248801

SCHEMBL7248801

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.60
▸ HTT P42858 5/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KDM4E B2RXH2 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HPGD P15428 4/20 0.48
▸ PPARG P37231 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ NCOA2 Q15596 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.44
▸ HSD17B3 P37058 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ ALPL P05186 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ USP2 O75604 1/20 0.42

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
SCHEMBL7153670 0.88 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL3778800 0.82 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL13016765 0.77 ALPL (0.41) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL31152138 0.75 ALDH1A1 (0.83) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL3775925 0.75 ALDH1A1 (0.83) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL7875506 0.74 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL7155946 0.74 ALDH1A1 (0.62) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL7550691 0.74 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL7247052 0.72 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL3777051 0.72 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2MAPTKDM4E

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 3 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 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
US-20030176494-A1 Novel coumarin and chromene compounds and methods of preparation and use thereof for treating or preventing viral infections ADVANCED LIFE SCIENCES, INC. 2003-09-18 — — 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 (2 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 3221/4885SMN1; SMN2 4848/4885
US-20030176494-A1 Novel coumarin and chromene compounds and methods of preparation and use thereof for treating or preventing viral infections HAVCR2, PROC, CTRC ALDH1A1 2199/4885HTT 3290/4885SMN1; SMN2 3535/4885

“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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