SCHEMBL5892104

SCHEMBL5892104

O=C1C2=C(c3ccc([Se]c4ccc(Cl)cc4)cc3)N(Cc3ccccc3)C(=O)C2=C(c2ccc([Se]c3ccc(Cl)cc3)cc2)N1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.50
NR1H3 Q13133 3/20 0.50
ALDH1A1 P00352 2/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
CES2 O00748 1/20 0.40
BCHE P06276 1/20 0.40
CES1 P23141 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PIM1 P11309 1/20 0.39
MGLL Q99685 2/20 0.39
GSK3A P49840 1/20 0.39

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
SCHEMBL5892099 0.91 NR1H2 (0.57) NR1H2NR1H3ALDH1A1ALDH2ALDH3A1
SCHEMBL5073360 0.82 NR1H2 (0.57) NR1H2NR1H3ALDH1A1ALDH2ALDH3A1
SCHEMBL7064955 0.76 PTGS2 (0.45) ALDH1A1GSK3BMEN1KMT2AMAPT
SCHEMBL14359498 0.75 TDP1 (0.52) NR1H2NR1H3ALDH1A1ALDH2ALDH3A1
SCHEMBL6095174 0.74 GAA (0.44) NR1H2NR1H3F2PLGELANE
SCHEMBL14031439 0.74 MAPT (0.49) NR1H2NR1H3ALDH1A1F2PLG
SCHEMBL6389495 0.72 NR1H2 (0.60) NR1H2NR1H3ALDH1A1ALDH2ALDH3A1
SCHEMBL14275468 0.72 NR1H2 (0.48) NR1H2NR1H3ALDH1A1ALDH2ALDH3A1
SCHEMBL28080839 0.72 NR1H2 (0.68) NR1H2NR1H3ALDH1A1ALDH2ALDH3A1
SCHEMBL5892106 0.72 HSD11B1 (0.47) NR1H2NR1H3F2PLGELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060843-B1 Electroluminescent devices comprising diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-13 US disclosed
US-7001677-B2 Electroluminescent devices comprising diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-02-21 US disclosed
US-20040009368-A1 Electroluminescent devices comprising diketopyrrolopyrroles OTANI JUNJI (JP) 2004-01-15 US disclosed
US-20030187106-A1 Red, organge color; photostability, heat resistance MORETTI ROBERT (CH) 2003-10-02 US disclosed
US-6603020-B1 Exhibiting a red or orange fluorescence CIBA SPECIALTY CHEMICALS CORPORATION 2003-08-05 US disclosed
EP-1329493-A2 Electroluminescent devices comprising diketopyrrolopyrroles Ciba SC Holding AG (CH) 2003-07-23 EP disclosed
EP-1087005-A1 Fluorescent diketopyrrolopyrroles Ciba SC Holding AG (CH) 2001-03-28 EP disclosed
EP-1087006-A1 Electroluminescent devices comprising diketopyrrolopyrroles Ciba SC Holding AG (CH) 2001-03-28 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 (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-20030187106-A1 Red, organge color; photostability, heat resistance CBR1, CBR3, DPP8 NR1H2 330/4885NR1H3 719/4885ALDH1A1 63/4885

“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.