SCHEMBL5764075

SCHEMBL5764075

[CH2]c1cc(OCCC)cc(-c2ccccc2)c1OCCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.43
ADORA3 P0DMS8 1/20 0.43
MGAM O43451 5/20 0.40
GAA P10253 5/20 0.40
SI P14410 5/20 0.40
MGAM2 Q2M2H8 5/20 0.40
BACE1 P56817 1/20 0.39
KMT2A Q03164 2/20 0.38
PTPN1 P18031 1/20 0.38
GPR88 Q9GZN0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
LTA4H P09960 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CREB1 P16220 1/20 0.36
SOAT1 P35610 1/20 0.36

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
SCHEMBL4431430 0.74 PTGDR2 (0.42) HDAC8ADORA3MGAMGAASI
SCHEMBL9614088 0.74 MAPT (0.47) HDAC8GAAKMT2AALDH1A1MEN1
SCHEMBL2491574 0.74 MGAM (0.38) HDAC8ADORA3MGAMGAASI
SCHEMBL5941192 0.73 HDAC8 (0.42) HDAC8ADORA3MGAMGAASI
SCHEMBL14318446 0.73 ADRB2 (0.45) HDAC8ADORA3KMT2APTPN1ALDH1A1
SCHEMBL29111492 0.72 HDAC8 (0.54) HDAC8GAABACE1KMT2APTPN1
SCHEMBL5988283 0.70 BACE1 (0.53) HDAC8GAABACE1KMT2APTPN1
SCHEMBL5989472 0.70 PLA2G4B (0.52) HDAC8BACE1PTPN1MAPT
SCHEMBL27670055 0.69 PTPN1 (0.58) HDAC8GAAKMT2APTPN1ALDH1A1
SCHEMBL30833001 0.69 FFAR1 (0.49) ADORA3KMT2ALTA4HMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 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 (3 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B HDAC8 1577/4885ADORA3 988/4885MGAM 3454/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A HDAC8 1532/4885ADORA3 541/4885MGAM 3338/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A HDAC8 1799/4885ADORA3 879/4885MGAM 3936/4885

“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.