SCHEMBL2003652

SCHEMBL2003652

CCOc1cc(C(C)(C)COC)ccc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EGFR P00533 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CFTR P13569 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2005611 0.88 TDP1 (0.56) TDP1ALDH1A1HTTKMT2AKDM4E
SCHEMBL1547094 0.86 TDP1 (0.59) TDP1ALDH1A1HTTKMT2AKDM4E
SCHEMBL1546535 0.83 TDP1 (0.57) TDP1ALDH1A1HTTKMT2AKDM4E
SCHEMBL1547280 0.80 TDP1 (0.53) TDP1ALDH1A1HTTKMT2AKDM4E
SCHEMBL256739 0.77 TDP1 (0.62) TDP1ALDH1A1HTTKMT2AKDM4E
SCHEMBL3372772 0.76 TDP1 (0.58) TDP1ALDH1A1HTTKMT2AKDM4E
SCHEMBL2002693 0.76 ALDH1A1 (0.33) ALDH1A1HTTKMT2AKDM4ESMN1; SMN2
SCHEMBL7802422 0.75 TDP1 (0.64) TDP1ALDH1A1HTTKMT2AKDM4E
SCHEMBL2847294 0.75 TDP1 (0.64) TDP1ALDH1A1HTTKMT2AKDM4E
SCHEMBL27009292 0.75 TDP1 (0.64) TDP1ALDH1A1KMT2AKDM4ETSHR

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 TDP1 1502/4885ALDH1A1 4398/4885HTT 2140/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 TDP1 1502/4885ALDH1A1 4398/4885HTT 2140/4885

“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.