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SCHEMBL2078397

SCHEMBL2078397

COC(=O)c1cccc(-c2nc(CCl)c(C)o2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ HTT P42858 1/20 0.52
▸ VDR P11473 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TP53 P04637 3/20 0.50
▸ USP2 O75604 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ TSHR P16473 1/20 0.48
▸ GPR119 Q8TDV5 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PPARG P37231 1/20 0.46

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
SCHEMBL2080149 0.85 MEN1 (0.57) KDM4EMEN1KMT2ATP53USP2
SCHEMBL4852529 0.82 SMN1; SMN2 (0.47) KDM4EVDRMEN1KMT2ATP53
SCHEMBL4851280 0.81 PPARG (0.46) KDM4EHTTMEN1KMT2ATP53
SCHEMBL4855342 0.80 KDR (0.59) VDRTP53MAPTPPARG
SCHEMBL4850074 0.79 PPARG (0.52) VDRTP53MAPTPPARG
SCHEMBL2329392 0.78 ALDH1A1 (0.61) KDM4EMEN1KMT2ATP53MAPK1
SCHEMBL1436140 0.77 MAPT (0.49) MEN1KMT2ATP53MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL3727637 0.77 ALDH1A1 (0.60) KDM4EMEN1KMT2ATP53MAPK1
SCHEMBL4425438 0.77 NOTUM (0.48) KDM4EHTTMEN1KMT2ATP53
SCHEMBL4418279 0.77 NPC1 (0.46) KDM4EVDRSMN1; SMN2GPR119ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897815-B2 Hexafluoroisopropanol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-01 — — US disclosed
US-20100004297-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES DEHMLOW HENRIETTA 2010-01-07 — — US disclosed
US-7608721-B2 Hexafluoroisopropanol derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-27 — — US disclosed
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 — — EP disclosed
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 — — US disclosed
US-7473705-B2 Hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-01-06 — — US disclosed
EP-1802566-B1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-26 — — EP disclosed
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 — — US disclosed
US-20080096937-A1 Novel hexafluoroisopropanol derivatives DEHMLOW HENRIETTA 2008-04-24 — — US disclosed
US-20070213377-A1 Novel hexafluoroisopropanol derivatives DEHMLOW HENRIETTA 2007-09-13 — — US disclosed
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 — — EP disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 — — US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 — — US disclosed
WO-2006037480-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 — — WO disclosed
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. 2006-04-06 — — US disclosed
US-20060004068-A1 Novel hexafluoroisopropanol derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 — — US disclosed
WO-2006000323-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 — — WO disclosed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 — — WO disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 — — US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 — — EP 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 (7 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-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 KDM4E 2765/4885HTT 3938/4885VDR 80/4885
US-20070213377-A1 Novel hexafluoroisopropanol derivatives NR1H3, NR1H2, NR1I2 KDM4E 3771/4885HTT 3834/4885VDR 74/4885
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives NR1H3, NR1H2, NR1I2 KDM4E 2851/4885HTT 4593/4885VDR 63/4885
US-20100004297-A1 NOVEL HEXAFLUOROISOPROPANOL DERIVATIVES NR1H3, NR1H2, NR1I2 KDM4E 3771/4885HTT 3834/4885VDR 74/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 KDM4E 719/4885HTT 4094/4885VDR 1346/4885
US-20080096937-A1 Novel hexafluoroisopropanol derivatives NR1H3, NR1H2, NR1I2 KDM4E 3771/4885HTT 3834/4885VDR 74/4885
US-20060004068-A1 Novel hexafluoroisopropanol derivatives NR1H3, NR1H2, NR1I2 KDM4E 3771/4885HTT 3834/4885VDR 74/4885

“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.