SCHEMBL10025817

SCHEMBL10025817

C1=CC2=C(CC1)c1c3ccccc3c(c3ccccc13)-c1ccccc1OCCCCO2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
DRD1 P21728 1/20 0.34
SLC5A7 Q9GZV3 1/20 0.34
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL10025825 0.85 KMT2A (0.35) MEN1KMT2ADRD1
SCHEMBL10025838 0.76 ITGB2 (0.46) MEN1KMT2AADORA3DRD1SLC5A7
SCHEMBL10025818 0.68 MAOA (0.35) MEN1KMT2ADRD1
SCHEMBL28135189 0.68 SRD5A1 (0.35)
SCHEMBL12446304 0.63 ITGB2 (0.57) MEN1KMT2AADORA3DRD1SLC5A7
SCHEMBL25575250 0.63 ADORA3 (0.40) MEN1KMT2AADORA3DRD1SLC5A7
SCHEMBL19888558 0.63 KDM4E (0.34)
SCHEMBL19373820 0.63 ITGB2 (0.46) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL10025837 0.63 KMT2A (0.49) MEN1KMT2ADRD1
SCHEMBL19373819 0.63 ITGB2 (0.46) MEN1KMT2AITGB2ICAM1ITGAL

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
EP-1859005-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-04-27 EP disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-8124249-B2 Derivatives of fused aromatic systems; stability; sublimation stability; easy to purify due to better solubilty; easy reproducibility because do not form isomers MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080171225-A1 Novel Materials For Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-17 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 (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-20080171225-A1 Novel Materials For Organic Electroluminescent Devices OR10J3, EML4, TYR MEN1 3497/4885KMT2A 2174/4885ADORA3 3301/4885

“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.