SCHEMBL5451707

SCHEMBL5451707

[O]CCCC(=O)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.61
RAB9A P51151 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 3/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
USP2 O75604 2/20 0.50
FKBP1A P62942 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 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
SCHEMBL5452859 0.94 GLA (0.59) GLARAB9AL3MBTL1POLBLMNA
SCHEMBL27415961 0.92 GLA (0.57) GLARAB9AL3MBTL1POLBLMNA
SCHEMBL9113633 0.92 GLA (0.57) GLARAB9AL3MBTL1POLBLMNA
SCHEMBL9415751 0.89 GLA (0.67) GLARAB9AL3MBTL1POLBLMNA
SCHEMBL7694058 0.87 GLA (0.65) GLARAB9AL3MBTL1POLBLMNA
SCHEMBL5778349 0.87 L3MBTL1 (0.57) GLARAB9AL3MBTL1POLBLMNA
SCHEMBL6043075 0.83 GLA (0.61) GLARAB9AL3MBTL1POLBLMNA
SCHEMBL19574225 0.83 ATM (0.75) GLARAB9AL3MBTL1POLBLMNA
SCHEMBL28413664 0.82 GLA (0.56) GLARAB9AL3MBTL1POLBLMNA
SCHEMBL2952110 0.82 GLA (0.59) GLARAB9AL3MBTL1POLBLMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007506661-A 2007-03-22 JP claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US claimed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP claimed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-0802904-B1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AG (DE) 1998-09-09 EP disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
CN-1172477-A Substituted 2 -phenylpyridines as herbicides BASF AG (DE) 1998-02-04 CN disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
WO-1996021647-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-07-18 WO disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 GLA 3671/4885RAB9A 2976/4885L3MBTL1 4808/4885
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 GLA 60/4885RAB9A 2414/4885L3MBTL1 637/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 GLA 10/4885RAB9A 362/4885L3MBTL1 2093/4885

“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.