SCHEMBL480465

SCHEMBL480465

COc1ccc(Cl)c(C(C)C(=O)c2ccc(=O)n(C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
BRD4 O60885 1/20 0.41
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MDM2 Q00987 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
RAF1 P04049 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
PAX8 Q06710 1/20 0.36
POLB P06746 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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 0.81 SMN1; SMN2 (0.40) KDM4EBRD4KMT2ASMN1; SMN2MEN1
SCHEMBL837654 0.77 MEN1 (0.41) KDM4EKMT2ASMN1; SMN2MEN1MAPT
SCHEMBL474066 0.77 KMO (0.43) ALDH1A1HPGDPOLB
SCHEMBL480822 0.77 SMN1; SMN2 (0.42) KDM4EBRD4KMT2ASMN1; SMN2MEN1
SCHEMBL480707 0.76 KDM4E (0.45) KDM4EBRD4KMT2ASMN1; SMN2MEN1
SCHEMBL480765 0.75 MAPK1 (0.36) KDM4EBRD4KMT2ASMN1; SMN2MEN1
SCHEMBL480088 0.74 ROCK2 (0.42) KDM4ELMNAPOLB
SCHEMBL837247 0.73 TDP1 (0.44) KMT2AMEN1MAPTLMNA
SCHEMBL734927 0.73 BRD4 (0.37) KDM4EBRD4MTNR1AMTNR1BKMT2A
SCHEMBL474525 0.71 SMN1; SMN2 (0.52) KDM4EBRD4SMN1; SMN2MAPTALDH1A1

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 KDM4E 1499/4885BRD4 3300/4885MTNR1A 121/4885

“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.