SCHEMBL480822

SCHEMBL480822

COc1ccc(C(C)C(=O)c2ccc(=O)n(C)c2)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HIF1A Q16665 2/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
BRD4 O60885 1/20 0.34
LMNA P02545 1/20 0.33
GHSR Q92847 3/20 0.33
F11 P03951 1/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
CREBBP Q92793 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL480824 0.82 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL11829957 0.79 PTGS1 (0.48) SMN1; SMN2KMT2AKDM4EHPGDHTT
SCHEMBL480465 0.77 KDM4E (0.45) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL837654 0.75 MEN1 (0.41) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL480765 0.73 MAPK1 (0.36) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL480727 0.72 MET (0.31) SMN1; SMN2KMT2AALDH1A1BRD4LMNA
SCHEMBL13890744 0.70 KDM4E (0.46) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL12075070 0.66 ALDH1A1 (0.40) KMT2AMEN1KDM4EALDH1A1HTT
SCHEMBL1414773 0.66 SCN8A (0.34) KMT2ABRD4
SCHEMBL15713204 0.66 CA1 (0.43) KMT2AKDM4EALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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 (1 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 SMN1; SMN2 4229/4885KMT2A 1893/4885MEN1 1173/4885

“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.