SCHEMBL4419425

SCHEMBL4419425

OC(c1cc2ccccc2[nH]1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.53
FLT3 P36888 2/20 0.43
AOC3 Q16853 2/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
DAO P14920 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SRD5A2 P31213 1/20 0.42
DDO Q99489 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL4419422 0.84 AHR (0.51) AHRFLT3AOC3KDM4EMAPT
SCHEMBL30145 0.80 KDM4E (0.56) AHRFLT3AOC3KDM4EMAPT
Hydrochloric Acid SCHEMBL7485650 0.80 KDM4E (0.56) AHRFLT3AOC3KDM4EMAPT
SCHEMBL30063522 0.80 KDM4E (0.56) AHRFLT3AOC3KDM4EMAPT
Methyl Alcohol SCHEMBL28456866 0.79 KDM4E (0.51) AHRFLT3AOC3KDM4EMAPT
SCHEMBL31078913 0.78 KDM4E (0.47) AHRFLT3KDM4EMAPTHPGD
SCHEMBL5692312 0.77 AHR (0.56) AHRFLT3AOC3KDM4EMAPT
SCHEMBL31501791 0.76 AHR (0.44) AHRFLT3AOC3KDM4EMAPT
SCHEMBL28864005 0.76 AHR (0.53) AHRFLT3AOC3KDM4EMAPT
SCHEMBL12845912 0.75 AHR (0.47) AHRFLT3AOC3KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 AHR 146/4885FLT3 641/4885AOC3 4562/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 AHR 146/4885FLT3 641/4885AOC3 4562/4885

“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.