SCHEMBL871773

SCHEMBL871773

O=C(O)c1ccccc1OCCOC1CCCCO1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 5/20 0.54
PTK2B Q14289 1/20 0.54
KDM4C Q9H3R0 1/20 0.46
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
HRH2 P25021 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CREBBP Q92793 1/20 0.39
SGMS2 Q8NHU3 1/20 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
SCHEMBL9335071 0.95 KMT2A (0.61) KMT2AMEN1ALDH1A1PTK2BKDM4C
SCHEMBL30658974 0.89 KMT2A (0.52) KMT2AMEN1ALDH1A1PTK2BKDM4C
SCHEMBL31135557 0.89 MEN1 (0.50) KMT2AMEN1ALDH1A1KDM4CKDM4E
SCHEMBL21818634 0.88 KMT2A (0.51) KMT2AMEN1ALDH1A1PTK2BKDM4C
SCHEMBL14615145 0.88 KMT2A (0.47) KMT2AMEN1ALDH1A1PTK2BKDM4C
SCHEMBL8295420 0.87 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1KDM4CKDM4E
SCHEMBL8297007 0.83 MEN1 (0.54) KMT2AMEN1ALDH1A1KDM4CKDM4E
SCHEMBL8303231 0.83 MEN1 (0.51) KMT2AMEN1ALDH1A1KDM4CKDM4E
SCHEMBL8296597 0.83 MEN1 (0.51) KMT2AMEN1ALDH1A1KDM4CKDM4E
SCHEMBL8296601 0.83 MEN1 (0.54) KMT2AMEN1ALDH1A1KDM4CKDM4E

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
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
WO-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 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 (4 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B KMT2A 3697/4885MEN1 2567/4885ALDH1A1 331/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B KMT2A 3697/4885MEN1 2567/4885ALDH1A1 331/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT KMT2A 2721/4885MEN1 532/4885ALDH1A1 212/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A KMT2A 2669/4885MEN1 1966/4885ALDH1A1 295/4885

“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.