SCHEMBL4820127

SCHEMBL4820127

O=C(O)COc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
PPARD Q03181 2/20 0.58
PPARG P37231 1/20 0.58
ALDH1A1 P00352 2/20 0.56
CYP19A1 P11511 1/20 0.55
ESR1 P03372 1/20 0.55
FFAR1 O14842 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PPARA Q07869 1/20 0.54
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
PTPN7 P35236 1/20 0.53
KMT2A Q03164 1/20 0.53
PTPN12 Q05209 1/20 0.53
ALDH2 P05091 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
SCHEMBL13616217 0.94 PPARD (0.67) ALOX15PPARDPPARGALDH1A1CYP19A1
SCHEMBL274850 0.94 ALOX15 (0.68) ALOX15ALDH1A1CYP19A1ESR1FFAR1
SCHEMBL2780802 0.92 ALOX15 (0.71) ALOX15PPARDPPARGALDH1A1FFAR1
Butanone SCHEMBL21796224 0.90 ESR1 (0.58) ALOX15PPARDPPARGALDH1A1CYP19A1
Formaldehyde SCHEMBL30592324 0.88 ALOX15 (0.61) ALOX15ALDH1A1CYP19A1ESR1FFAR1
SCHEMBL10622949 0.87 PPARD (0.58) ALOX15PPARDPPARGALDH1A1CYP19A1
Chloroacetic Acid SCHEMBL7821121 0.86 ALOX15 (0.59) ALOX15PPARDPPARGALDH1A1CYP19A1
SCHEMBL422442 0.86 ALOX15 (0.76) ALOX15PPARDPPARGALDH1A1FFAR1
SCHEMBL339492 0.85 ALOX15 (0.81) ALOX15PPARDPPARGALDH1A1FFAR1
SCHEMBL1550206 0.85 FFAR1 (0.77) ALOX15ALDH1A1CYP19A1ESR1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313360-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES UNIV SYDDANSK (DK) 2012-09-05 EP disclosed
US-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET 2011-06-23 US disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP 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-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES GPR119, INSR, GPR65 ALOX15 763/4885PPARD 106/4885PPARG 42/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A ALOX15 1356/4885PPARD 1403/4885PPARG 570/4885

“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.