SCHEMBL480179

SCHEMBL480179

COC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3ccc(OC)nc3)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
NR3C1 P04150 1/20 0.38
RAF1 P04049 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LIPE Q05469 3/20 0.37
P2RX3 P56373 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
SCN9A Q15858 3/20 0.37
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL732586 0.86 MEN1 (0.41) LMNANR3C1ALDH1A1LIPEKMT2A
SCHEMBL480115 0.84 LMNA (0.40) LMNARAF1ALDH1A1P2RX3NR1H2
SCHEMBL752294 0.82 PDK2 (0.40) LMNANR3C1KMT2AATMMEN1
SCHEMBL479723 0.82 PDK2 (0.40) LMNANR3C1KMT2AATMMEN1
SCHEMBL480193 0.82 LMNA (0.46) LMNAALDH1A1LIPEP2RX3
SCHEMBL837193 0.81 RECQL (0.39) LMNANR3C1KMT2AMEN1HTT
SCHEMBL12164134 0.80 LMNA (0.44) LMNANR3C1ALDH1A1LIPEP2RX3
SCHEMBL473902 0.80 LMNA (0.44) LMNANR3C1ALDH1A1LIPEP2RX3
SCHEMBL480948 0.80 LMNA (0.37) LMNANR3C1ALDH1A1P2RX3NR1H2
SCHEMBL753268 0.80 LMNA (0.37) LMNANR3C1ALDH1A1P2RX3NR1H2

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 LMNA 1995/4885NR3C1 1/4885RAF1 1306/4885

“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.