SCHEMBL10025839

SCHEMBL10025839

c1ccc2c(c1)COc1cccc3c1-c1c4ccccc4c(c4ccccc14)-c1c(cccc1OCc1ccccc1CO3)OC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
NOTUM Q6P988 2/20 0.39
HSD17B3 P37058 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
OXTR P30559 1/20 0.36
MPO P05164 1/20 0.35
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33

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
SCHEMBL10025837 0.81 KMT2A (0.49) MAOAMAOBNOTUMHSD17B3LMNA
SCHEMBL30082660 0.79 MAOA (0.41) MAOAMAOBNOTUMHSD17B3LMNA
SCHEMBL19373821 0.77 ITGB2 (0.46) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL19373819 0.77 ITGB2 (0.46) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL19373820 0.77 ITGB2 (0.46) LMNASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL346944 0.73
SCHEMBL10170816 0.73 OXTR (0.52) MAOAMAOBHSD17B3LMNASMN1; SMN2
SCHEMBL30349594 0.73
SCHEMBL13926200 0.71 KMT2A (0.36) MAOAMAOBNOTUMHSD17B3LMNA
SCHEMBL28675786 0.71

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 MAOA 298/4885MAOB 438/4885NOTUM 2944/4885

“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.