SCHEMBL2009639

SCHEMBL2009639

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
CYP1A2 P05177 1/20 0.40
BLM P54132 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.36
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
CNR2 P34972 2/20 0.36
VDR P11473 1/20 0.35
BPTF Q12830 1/20 0.35
ALDH1A1 P00352 2/20 0.35
BCHE P06276 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
QPCT Q16769 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2006535 0.81 KDM4E (0.41) HSP90AA1HSP90AB1CYP1A2BLMALDH1A1
SCHEMBL2006312 0.79 AKR1C3 (0.47) ALDH1A1LMNAHTT
SCHEMBL26095412 0.78 CNR2 (0.48) CNR2ALDH1A1LMNAHTT
SCHEMBL29990640 0.78 CNR2 (0.48) CNR2ALDH1A1LMNAHTT
SCHEMBL31596900 0.76 MEN1 (0.49) ALDH1A1LMNA
SCHEMBL31596845 0.74 LMNA (0.44) LMNAHTT
SCHEMBL471350 0.74 HSP90AA1 (0.70) HSP90AA1HSP90AB1CYP1A2BLMALDH1A1
SCHEMBL23070462 0.73 CNR2 (0.48) CYP1A2CNR2BPTFALDH1A1HTT
SCHEMBL29021651 0.71 CA1 (0.42) CYP1A2ALDH1A1LMNAHTT
SCHEMBL1547319 0.70 CYP1A2 (0.42) CYP1A2VDRBPTFALDH1A1KDM4E

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 HSP90AA1 2000/4885HSP90AB1 2064/4885CYP1A2 3207/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 HSP90AA1 2000/4885HSP90AB1 2064/4885CYP1A2 3207/4885

“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.