SCHEMBL2483113

SCHEMBL2483113

O=C(O)C=Cc1ccc(O)c(OCCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 12/20 0.69
▸ TTR P02766 4/20 0.63
▸ KDM4E B2RXH2 3/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ ALOX12 P18054 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ PKM P14618 2/20 0.60
▸ ALOX5 P09917 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ AKR1C4 P17516 2/20 0.60
▸ AKR1C1 Q04828 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ AKR1B10 O60218 1/20 0.60
▸ GMNN O75496 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ EGFR P00533 1/20 0.60
▸ ESR1 P03372 1/20 0.60
▸ ERBB2 P04626 1/20 0.60

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
SCHEMBL14686073 0.86 KDM4E (0.70) AKR1C3TTRKDM4ECYP3A4MAPK1
SCHEMBL14686072 0.86 KDM4E (0.70) AKR1C3TTRKDM4ECYP3A4MAPK1
Caffeic Acid SCHEMBL2483116 0.83 TTR (0.72) AKR1C3TTRKDM4ECYP3A4ALOX15
Caffeic Acid SCHEMBL2483109 0.83 TTR (0.72) AKR1C3TTRKDM4ECYP3A4ALOX15
SCHEMBL7252136 0.82 KDM4E (0.73) AKR1C3TTRKDM4ECYP3A4ALOX15
SCHEMBL4621755 0.82 KDM4E (0.73) AKR1C3TTRKDM4ECYP3A4ALOX15
Caffeic Acid Phenethyl Ester SCHEMBL38666014 0.80 TTR (0.93) AKR1C3TTRKDM4ECYP3A4ALOX15
Ferulate SCHEMBL18167441 0.79 ALOX5 (0.73) AKR1C3TTRKDM4ECYP3A4ALOX15
SCHEMBL1449041 0.79 FFAR1 (0.59) AKR1C3AKR1B10AKR1B1
SCHEMBL1449039 0.79 FFAR1 (0.59) AKR1C3AKR1B10AKR1B1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2377543-A2 Ophthalmic, pharmaceutical and other healthcare preparations with naturally ocurring plant compounds, extracts and derivatives Natural Disinfectant Technologies (AN) 2011-10-19 — — EP disclosed
EP-1865929-A2 DIINDOLYLMETHANE-BASED COMPOSITIONS AND METHODS OF USE THEREOF FOR PROMOTING ORAL MUCOSAL AND BONE HEALTH Bioresponse, L.L.C. (US) 2007-12-19 — — EP disclosed
US-20060264497-A1 Diindolylmethane-based compositions and methods of use thereof for promoting oral mucosal and bone health BIORESPONSE, L.L.C. 2006-11-23 — — US disclosed
WO-2006105196-A2 DIINDOLYLMETHANE-BASED COMPOSITIONS AND METHODS OF USE THEREOF FOR PROMOTING ORAL MUCOSAL AND BONE HEALTH BIORESPONSE, L.L.C. (US) 2006-10-05 — — WO disclosed
EP-1492551-A2 OPHTHALMIC, PHARMACEUTICAL AND OTHER HEALTHCARE PREPARATIONS WITH NATURALLY OCCURING PLANT COMPOUNDS, EXTRACTS AND DERIVATIVES Natural Disinfectant Technologies (AN) 2005-01-05 — — EP disclosed
EP-1492551-A2 OPHTHALMIC, PHARMACEUTICAL AND OTHER HEALTHCARE PREPARATIONS WITH NATURALLY OCCURING PLANT COMPOUNDS, EXTRACTS AND DERIVATIVES Natural Disinfectant Technologies (AN) 2005-01-05 — — EP disclosed
WO-2003086442-A3 OPHTHALMIC, PHARMACEUTICAL AND OTHER HEALTHCARE PREPARATIONS WITH NATURALLY OCCURING PLANT COMPOUNDS, EXTRACTS AND DERIVATIVES NATURAL DISINFECTANT TECHNOLOG (NL) 2004-03-18 — — WO disclosed
WO-2003086442-A2 OPHTHALMIC, PHARMACEUTICAL AND OTHER HEALTHCARE PREPARATIONS WITH NATURALLY OCCURING PLANT COMPOUNDS, EXTRACTS AND DERIVATIVES NATURAL DISINFECTANT TECHNOLOGIES (AN) 2003-10-23 — — WO disclosed
WO-2003086442-A2 OPHTHALMIC, PHARMACEUTICAL AND OTHER HEALTHCARE PREPARATIONS WITH NATURALLY OCCURING PLANT COMPOUNDS, EXTRACTS AND DERIVATIVES NATURAL DISINFECTANT TECHNOLOGIES (AN) 2003-10-23 — — WO disclosed
US-20030086986-A1 Ophthalmic, pharmaceutical and other healthcare preparations with naturally occurring plant compounds, extracts and derivatives BRUIJN CHRIS DE (DE) 2003-05-08 — — US disclosed
US-20030086986-A1 Ophthalmic, pharmaceutical and other healthcare preparations with naturally occurring plant compounds, extracts and derivatives BRUIJN CHRIS DE (DE) 2003-05-08 — — 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 (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-20060264497-A1 Diindolylmethane-based compositions and methods of use thereof for promoting oral mucosal and bone health HPGDS, IDO1, IDO2 AKR1C3 3434/4885TTR 4267/4885KDM4E 1103/4885

“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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