SCHEMBL2440328

SCHEMBL2440328

O=CCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.59
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
FFAR1 O14842 1/20 0.53
PTPN7 P35236 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
PTPN12 Q05209 1/20 0.51
TBXAS1 P24557 2/20 0.49
PPARD Q03181 2/20 0.49
PPARG P37231 1/20 0.49
TSHR P16473 3/20 0.49
HSD17B10 Q99714 2/20 0.49
NR4A1 P22736 1/20 0.49
APEX1 P27695 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CYP1A2 P05177 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL5830687 0.85 ALOX15 (0.55) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL7334660 0.84 ALOX15 (0.53) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL339492 0.83 ALOX15 (0.81) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL13425276 0.82 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL9651946 0.82 ALOX15 (0.52) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL8065531 0.80 PLA2G4B (0.46)
SCHEMBL9832704 0.80 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL2642068 0.80 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL166364 0.80 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL11210089 0.79 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1657235-B1 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates RANDOX LAB LTD (GB) 2011-09-21 EP disclosed
US-7192722-B2 Phenethanolamine-derived haptens, immunogens, antibodies and conjugates RANDOX LABORATORIES (GB) 2007-03-20 US disclosed
US-20060223132-A1 uses in competitive immunoassays for the detection of ractopamine, isoxsuprine and ritodrine RANDOX LABORATORIES LIMITED (GB) 2006-10-05 US disclosed
EP-1657235-A2 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates Randox Laboratories Ltd. (GB) 2006-05-17 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 (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-20060223132-A1 uses in competitive immunoassays for the detection of ractopamine, isoxsuprine and ritodrine HRH3, HRH4, HRH1 ALOX15 2626/4885ALDH1A1 464/4885SMN1; SMN2 4578/4885

“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.