SCHEMBL7153670

SCHEMBL7153670

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.48
▸ KDM4E B2RXH2 9/20 0.48
▸ HSD17B10 Q99714 7/20 0.48
▸ HPGD P15428 5/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HTT P42858 3/20 0.46
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALPI P09923 2/20 0.44
▸ ALPL P05186 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 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
SCHEMBL13016765 0.88 ALPL (0.41) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL7248801 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL7247052 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL3777051 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL13016939 0.72 TSSK1B (0.51) ALDH1A1KDM4EHSD17B10HPGDKMT2A
SCHEMBL3778800 0.72 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HPGDALOX15
SCHEMBL9573720 0.70 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AHTTALPL
SCHEMBL26625027 0.70 ENPP1 (0.55) KMT2AALPIALPLCA12CA1
SCHEMBL5670908 0.69 MAOB (0.58) ALDH1A1KDM4EHSD17B10HPGDALPI
SCHEMBL5671449 0.69 MAOB (0.45) ALDH1A1KDM4EKMT2ALMNASMN1; SMN2

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-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
WO-2003070159-A2 NOVEL COUMARIN AND CHROMENE COMPOUNDS AND METHODS OF TREATING OR PREVENTING VIRAL INFECTIONS SARAWAK MEDICHEM PHARMACEUTICALS (US) 2003-08-28 — — 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 (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 482/4885KDM4E 3237/4885HSD17B10 159/4885
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 2199/4885KDM4E 3488/4885HSD17B10 320/4885

“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.

Send feedback