SCHEMBL2010206

SCHEMBL2010206

CCOC(=O)c1cc(C(C)(C)C)ccc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.46
CYP2C19 P33261 3/20 0.46
GAA P10253 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MAOB P27338 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43

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
SCHEMBL5484885 0.87 ALDH1A1 (0.44) MAPTCYP2C19GAACYP2C9MEN1
SCHEMBL983425 0.87 CYP1A2 (0.57) TSHRMAPTCYP2C19GAACYP2C9
SCHEMBL18050572 0.85 TSHR (0.44) TSHRMAPTCYP2C19GAACYP2C9
SCHEMBL4625676 0.84 TSHR (0.56) TSHRMAPTCYP2C19GAACYP2C9
SCHEMBL1546638 0.83 CYP2C19 (0.49) TSHRMAPTCYP2C19GAACYP2C9
SCHEMBL10915358 0.82 ALDH1A1 (0.45) TSHRMAPTCYP2C19GAACYP2C9
SCHEMBL18050726 0.81 HSP90AA1 (0.49) TSHRMAPTCYP2C19GAACYP2C9
SCHEMBL14279020 0.81 TSHR (0.52) TSHRMAPTCYP2C19GAACYP2C9
SCHEMBL164673 0.81 TSHR (0.52) TSHRMAPTCYP2C19GAACYP2C9
SCHEMBL3999898 0.80 KDM4E (0.55) TSHRMAPTGAANPC1ALDH1A1

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 8 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-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
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 TSHR 1791/4885MAPT 2665/4885CYP2C19 2368/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 TSHR 1791/4885MAPT 2665/4885CYP2C19 2368/4885

“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.