SCHEMBL2008596

SCHEMBL2008596

CCOC(=O)c1ccc(C(C)(C)C)cc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 4/20 0.44
CYP2C9 P11712 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAOB P27338 1/20 0.43
CYP1A2 P05177 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL2008247 0.86 CFTR (0.50) RAB9ANPC1SMN1; SMN2MAPTCYP2C9
SCHEMBL958734 0.83 CYP2C19 (0.53) RAB9ANPC1SMN1; SMN2MAPTCYP2C9
Bicarbonate SCHEMBL5487332 0.82 CFTR (0.46) RAB9ACYP2C9MEN1KMT2AKDM4E
SCHEMBL3784216 0.82 KDM4E (0.46) RAB9ANPC1SMN1; SMN2MAPTCYP2C9
SCHEMBL29196265 0.82 NR1H4 (0.50) RAB9ANPC1SMN1; SMN2MAPTCYP2C9
SCHEMBL4625676 0.78 TSHR (0.56) RAB9ANPC1SMN1; SMN2MAPTCYP2C9
SCHEMBL164673 0.78 TSHR (0.52) RAB9ANPC1SMN1; SMN2MAPTCYP2C9
SCHEMBL10468246 0.77 ALDH1A1 (0.60) RAB9ASMN1; SMN2MAPTCYP2C9MEN1
SCHEMBL1964847 0.77 KDM4E (0.49) RAB9ANPC1SMN1; SMN2MAPTCYP2C9
SCHEMBL2010206 0.76 TSHR (0.46) RAB9ANPC1SMN1; SMN2MAPTCYP2C9

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 RAB9A 2066/4885NPC1 4002/4885SMN1; SMN2 3320/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 RAB9A 2066/4885NPC1 4002/4885SMN1; SMN2 3320/4885

“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.