SCHEMBL3762364

SCHEMBL3762364

O=C1C(=O)c2ccc(C=Cc3ccccc3)cc2-c2cc(C=Cc3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.59
▸ MAOA P21397 4/20 0.59
▸ RELA Q04206 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ PTBP1 P26599 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GALK1 P51570 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SMAD3 P84022 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3762362 1.00 MAOB (0.59) MAOBMAOARELAMEN1APAF1
SCHEMBL28974613 0.90 MAOB (0.57) MAOBMAOARELAMEN1NPC1
SCHEMBL28974650 0.90 MAOB (0.57) MAOBMAOARELAMEN1NPC1
SCHEMBL13866099 0.80 NPC1 (0.48) MAOBMAOARELAMEN1APAF1
SCHEMBL13454841 0.80 MAOA (0.51) MAOBMAOARELAMEN1KMT2A
SCHEMBL10779728 0.80 MAOA (0.51) MAOBMAOARELAMEN1KMT2A
Anthraquinone SCHEMBL28334682 0.80 MEN1 (0.63) MAOBMAOAMEN1APAF1NPC1
SCHEMBL11420801 0.79 MAOA (0.63) MAOBMAOARELAMEN1LMNA
SCHEMBL11420803 0.79 MAOA (0.63) MAOBMAOARELAMEN1LMNA
SCHEMBL28974585 0.77 MAOB (0.53) MAOBMAOARELAMEN1APAF1

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-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 — — US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 — — US disclosed
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 — — 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-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 MAOB 2347/4885MAOA 2240/4885RELA 1726/4885

“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.

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