SCHEMBL6042990

SCHEMBL6042990

COCC(COc1cc(C(=O)O)cc2c(OC)cccc12)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.46
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
PTGS2 P35354 1/20 0.40
CDC25B P30305 1/20 0.40
TSHR P16473 2/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TPMT P51580 2/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL1812865 0.84 MRGPRX4 (0.51) MRGPRX4LTB4RLTB4R2PTGS2CDC25B
SCHEMBL6950752 0.83 MRGPRX4 (0.50) MRGPRX4LTB4RLTB4R2PTGS2CDC25B
SCHEMBL6041661 0.81 NR2E1 (0.39) MRGPRX4TSHRPKMKDM4EHSD17B10
SCHEMBL1812029 0.80 CA12 (0.55) MRGPRX4LTB4RLTB4R2PTGS2CDC25B
SCHEMBL6041873 0.78 NR2E1 (0.38) MRGPRX4TSHRSMN1; SMN2NR2E1
SCHEMBL6959377 0.75 PTGS2 (0.57) MRGPRX4LTB4RLTB4R2PTGS2CDC25B
SCHEMBL6955384 0.74 TSHR (0.59) MRGPRX4LTB4RLTB4R2PTGS2CDC25B
SCHEMBL28857298 0.69 CA1 (0.69) PTGS2TSHRCA12CA1CA2
SCHEMBL6041628 0.69 CDC25B (0.49) CDC25BKDM4EALDH1A1HTTMEN1
SCHEMBL672360 0.69 CDC25B (0.54) CDC25BTSHRKDM4EALDH1A1MEN1

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
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 MRGPRX4 914/4885LTB4R 2285/4885LTB4R2 2412/4885

“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.