SCHEMBL2006535

SCHEMBL2006535

CCN(CC)C(=O)C(C)(C)c1ccc(C(=O)OC)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
CFTR P13569 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
CYP1A2 P05177 1/20 0.38
BLM P54132 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2009639 0.81 HSP90AA1 (0.40) KDM4EALDH1A1LMNAHSP90AA1HSP90AB1
SCHEMBL12244969 0.78 MAPT (0.56) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL31596900 0.74 MEN1 (0.49) ALDH1A1MAPTRAB9ALMNAHPGD
SCHEMBL24901813 0.74 CFTR (0.67) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL31596845 0.72 LMNA (0.44) GAAMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL5354905 0.72 CFTR (0.51) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL8200617 0.71 CHEK1 (0.59) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL28113312 0.71 TDP1 (0.44) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL29196265 0.71 NR1H4 (0.50) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL1547094 0.71 TDP1 (0.59) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES FOTOUHI NADER 2009-06-04 US disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1753727-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-02-21 EP disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 US disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 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 (2 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-20090143364-A1 CHIRAL CIS-IMIDAZOLINES TP53, MDM2, TP53BP1 KDM4E 4499/4885ALDH1A1 4398/4885GLA 3131/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 KDM4E 4499/4885ALDH1A1 4398/4885GLA 3131/4885

“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.