SCHEMBL5527437

SCHEMBL5527437

CCOC=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.47
MGLL Q99685 2/20 0.44
CA1 P00915 1/20 0.44
HDAC2 Q92769 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LTB4R Q15722 1/20 0.39
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
MTOR P42345 1/20 0.38
MAPT P10636 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5527435 1.00 RELA (0.47) RELAMGLLCA1HDAC2RAB9A
SCHEMBL17836905 0.88 RELA (0.53) RELARAB9ANPC1KMT2ATRPA1
Benzene SCHEMBL28121960 0.88 RELA (0.53) RELARAB9ANPC1KMT2ATRPA1
SCHEMBL60042 0.88 RELA (0.53) RELARAB9ANPC1KMT2ATRPA1
Methyl Alcohol SCHEMBL27549978 0.84 RELA (0.50) RELARAB9ANPC1KMT2ATRPA1
Formaldehyde SCHEMBL28826591 0.82 RELA (0.48) RELARAB9ANPC1KMT2ATRPA1
SCHEMBL28054696 0.80 RELA (0.41) RELAMGLLCA1RAB9ANPC1
SCHEMBL4270558 0.78 RELA (0.47) RELACA1RAB9ANPC1KMT2A
SCHEMBL10865255 0.78 CA1 (0.48) RELAMGLLCA1HDAC2RAB9A
Biphenyl SCHEMBL28066254 0.78 ALDH1A1 (0.39) RELARAB9ANPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD RELA 615/4885MGLL 213/4885CA1 4882/4885

“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.