SCHEMBL5028940

SCHEMBL5028940

O=C(c1ccccc1)c1ccc(OCCOc2ccccc2)cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.66
HPGD P15428 5/20 0.66
ALDH1A1 P00352 3/20 0.66
MAPK1 P28482 2/20 0.66
CYP1A2 P05177 2/20 0.66
PGR P06401 2/20 0.66
SLC6A2 P23975 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2D6 P10635 1/20 0.66
PDE4A P27815 1/20 0.66
HRH1 P35367 1/20 0.66
HTT P42858 1/20 0.66
SLC6A3 Q01959 1/20 0.66
PDE4D Q08499 1/20 0.66
GAA P10253 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 1/20 0.61
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61

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
SCHEMBL12743862 0.97 LMNA (0.69) LMNAHPGDALDH1A1MAPK1CYP1A2
SCHEMBL545524 0.92 HPGD (0.68) LMNAHPGDALDH1A1MAPK1CYP1A2
SCHEMBL551152 0.91 HPGD (0.66) LMNAHPGDALDH1A1MAPK1CYP1A2
SCHEMBL9717125 0.90 HPGD (0.60) LMNAHPGDALDH1A1MAPK1CYP1A2
SCHEMBL10476884 0.90 LMNA (0.69) LMNAHPGDALDH1A1MAPK1CYP1A2
SCHEMBL7157287 0.90 HPGD (0.63) LMNAHPGDALDH1A1MAPK1CYP1A2
SCHEMBL126798 0.90 GAA (0.65) LMNAHPGDALDH1A1MAPK1CYP1A2
SCHEMBL29530425 0.90 GAA (0.65) LMNAHPGDALDH1A1MAPK1CYP1A2
SCHEMBL9717091 0.89 HPGD (0.62) LMNAHPGDALDH1A1MAPK1CYP1A2
SCHEMBL561993 0.88 HPGD (0.68) LMNAHPGDALDH1A1MAPK1CYP1A2

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
EP-1895959-A1 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS CombinatoRx, Incorporated (US) 2008-03-12 EP disclosed
US-20070110685-A1 Combination therapy for the treatment of immunoinflammatory disorders ZALICUS INC. 2007-05-17 US disclosed
WO-2006138518-A1 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2006-12-28 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 (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-20070110685-A1 Combination therapy for the treatment of immunoinflammatory disorders SERPINC1, SERPINA6, IL36G LMNA 3750/4885HPGD 57/4885ALDH1A1 3356/4885

“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.