SCHEMBL3993950

SCHEMBL3993950

COC(=O)c1cccc(CO[PH](=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
CYP4F2 P78329 2/20 0.59
CYP4A11 Q02928 2/20 0.59
MRGPRX4 Q96LA9 6/20 0.56
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
SLC7A5 Q01650 1/20 0.52
TSHR P16473 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.48
HIF1A Q16665 1/20 0.47
FOLH1 Q04609 1/20 0.46

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
SCHEMBL1544193 0.82 LOXL2 (0.70) LOXL2CYP4F2CYP4A11MRGPRX4MAPT
SCHEMBL31276343 0.82 LOXL2 (0.70) LOXL2CYP4F2CYP4A11MRGPRX4MAPT
SCHEMBL6000185 0.82 LOXL2 (0.70) LOXL2CYP4F2CYP4A11MRGPRX4MAPT
SCHEMBL5885636 0.81 LOXL2 (0.56) LOXL2CYP4F2CYP4A11MAPTKDM4E
SCHEMBL3622638 0.80 LOXL2 (0.66) LOXL2CYP4F2CYP4A11MRGPRX4MAPT
SCHEMBL1715330 0.80 LOXL2 (0.71) LOXL2CYP4F2CYP4A11MRGPRX4MAPT
SCHEMBL126284 0.79 LOXL2 (0.74) LOXL2CYP4F2CYP4A11MRGPRX4MAPT
SCHEMBL70173 0.79 CYP4F2 (0.83) LOXL2CYP4F2CYP4A11MRGPRX4MAPT
SCHEMBL6667451 0.78 LOXL2 (0.64) LOXL2CYP4F2CYP4A11MRGPRX4MAPT
Hydrochloric Acid SCHEMBL1715819 0.78 LOXL2 (0.69) LOXL2CYP4F2CYP4A11MRGPRX4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140079-B1 ASSAYS FOR LIGANDS FOR NUCLEAR RECEPTORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
US-6984650-B2 Use of FXR ligands SMITHKLINE BEECHAM CORPORATION (US) 2006-01-10 US disclosed
EP-1140079-A4 ASSAYS FOR LIGANDS FOR NUCLEAR RECEPTORS GLAXO GROUP LTD (GB) 2004-06-09 EP disclosed
US-20040048316-A1 Assays for ligands for nuclear receptors HAFFNER CURT DALE (US) 2004-03-11 US disclosed
US-6639078-B1 Assays for ligands for nuclear receptors SMITHKLINE BEECHAM CORPORATION 2003-10-28 US disclosed
EP-1140079-A1 ASSAYS FOR LIGANDS FOR NUCLEAR RECEPTORS GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037077-A1 ASSAYS FOR LIGANDS FOR NUCLEAR RECEPTORS GLAXO GROUP LIMITED (GB) 2000-06-29 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-20040048316-A1 Assays for ligands for nuclear receptors NCOA1, NCOA3, NCOR1 LOXL2 4548/4885CYP4F2 795/4885CYP4A11 662/4885

“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.