SCHEMBL752384

SCHEMBL752384

COC(=O)c1ccc(Oc2ccc([C@H](C)[C@](O)(c3cc(C)c(=O)n(C)c3)C(F)(F)F)c(Cl)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
P2RX3 P56373 3/20 0.41
HRH3 Q9Y5N1 4/20 0.39
LIPE Q05469 5/20 0.35
ACACB O00763 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
PDE4B Q07343 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL480795 1.00 LMNA (0.42) LMNAP2RX3HRH3LIPEACACB
SCHEMBL480612 0.92 HRH3 (0.40) LMNAP2RX3HRH3LIPEEGLN1
SCHEMBL480891 0.92 HRH3 (0.40) LMNAP2RX3HRH3LIPEEGLN1
SCHEMBL732755 0.92 HRH3 (0.40) LMNAP2RX3HRH3LIPEEGLN1
SCHEMBL754992 0.91 P2RX3 (0.33) LMNAP2RX3
SCHEMBL480748 0.91 P2RX3 (0.33) LMNAP2RX3
SCHEMBL753383 0.89 LMNA (0.37) LMNAP2RX3ALDH1A1
SCHEMBL480422 0.89 LMNA (0.37) LMNAP2RX3ALDH1A1
SCHEMBL480756 0.87 MAPT (0.45) LMNAALDH1A1
SCHEMBL754975 0.87 MAPT (0.45) LMNAALDH1A1

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
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US 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 1995/4885P2RX3 696/4885HRH3 419/4885

“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.