SCHEMBL4540573

SCHEMBL4540573

Oc1ccccc1Oc1cccc(O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
ALOX15 P16050 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
MAPT P10636 3/20 0.56
TP53 P04637 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
CA2 P00918 3/20 0.52
CA1 P00915 2/20 0.52
EGFR P00533 2/20 0.52
FYN P06241 2/20 0.52
MMP9 P14780 2/20 0.52
RECQL P46063 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ADAMTS4 O75173 1/20 0.52
MMP2 P08253 1/20 0.52

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
SCHEMBL88340 0.92 LMNA (0.64) LMNAALOX15ALDH1A1HPGDHSD17B10
SCHEMBL29446988 0.89 CA2 (0.62) LMNAALOX15ALDH1A1HPGDHSD17B10
SCHEMBL18197 0.89 CA2 (0.62) LMNAALOX15ALDH1A1HPGDHSD17B10
Methane SCHEMBL11062496 0.87 CA2 (0.59) LMNAALOX15ALDH1A1HPGDHSD17B10
SCHEMBL7806601 0.87 CA2 (0.59) LMNAALOX15ALDH1A1HPGDHSD17B10
Phosphine SCHEMBL28067413 0.87 CA2 (0.59) LMNAALOX15ALDH1A1HPGDHSD17B10
Ammonia Solution, Strong SCHEMBL28322857 0.87 CA2 (0.59) LMNAALOX15ALDH1A1HPGDHSD17B10
SCHEMBL27854468 0.82 TRPA1 (0.58) LMNAALOX15ALDH1A1HPGDHSD17B10
SCHEMBL9768108 0.82 ALDH1A1 (0.50) LMNAALOX15ALDH1A1HPGDHSD17B10
Methoxymethane SCHEMBL7185958 0.82 CA2 (0.68) LMNAALOX15ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670485-A4 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP (CA) 2009-03-11 EP disclosed
US-7241905-B2 Dioxin analogues and methods and kits for searching out dioxins-decomposing organisms or enzymes or dioxin-decomposing enzyme genes FORESTRY AND FOREST PRODUCTS RESEARCH INSTITUTE (JP) 2007-07-10 US disclosed
US-7241905-B2 Dioxin analogues and methods and kits for searching out dioxins-decomposing organisms or enzymes or dioxin-decomposing enzyme genes FORESTRY AND FOREST PRODUCTS RESEARCH INSTITUTE (JP) 2007-07-10 US disclosed
US-20070099826-A1 Treatment of diseases associated with the egr-1 enhancer element RESVERLOGIX CORP. (CA) 2007-05-03 US disclosed
EP-1670484-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
EP-1670485-A1 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
WO-2005034960-A1 TREATMENT OF DISEASES ASSOCIATED WITH THE EGR-1 ENHANCER ELEMENT RESVERLOGIX CORP. (CA) 2005-04-21 WO disclosed
US-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
WO-2005032559-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2005-04-14 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 (3 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-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders NOS2, NOS3, NOS1 LMNA 2355/4885ALOX15 206/4885ALDH1A1 971/4885
US-20070099826-A1 Treatment of diseases associated with the egr-1 enhancer element TOE1, ATF1, ELF3 LMNA 3441/4885ALOX15 1155/4885ALDH1A1 2978/4885
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders NOS2, NOS1, NOS3 LMNA 1781/4885ALOX15 265/4885ALDH1A1 983/4885

“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.