SCHEMBL2591612

SCHEMBL2591612

O=C1CCCC(=NO)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MAOA P21397 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ CYP2A6 P11509 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL30043171 0.76 L3MBTL1 (0.92) HPGDL3MBTL1MAOAMAOBCYP2A6
SCHEMBL5398653 0.76 L3MBTL1 (0.92) HPGDL3MBTL1MAOAMAOBCYP2A6
SCHEMBL29757867 0.76 L3MBTL1 (0.92) HPGDL3MBTL1MAOAMAOBCYP2A6
SCHEMBL395524 0.76 L3MBTL1 (0.92) HPGDL3MBTL1MAOAMAOBCYP2A6
SCHEMBL1204352 0.76 L3MBTL1 (0.92) HPGDL3MBTL1MAOAMAOBCYP2A6
SCHEMBL17988339 0.74 HPGD (0.96) HPGDL3MBTL1MAOAMAOBCYP2A6
SCHEMBL2589102 0.74 L3MBTL1 (0.68) HPGDL3MBTL1MAOAMAOBCYP2A6
SCHEMBL2589100 0.74 L3MBTL1 (0.68) HPGDL3MBTL1MAOAMAOBCYP2A6
SCHEMBL10697582 0.74 — —
SCHEMBL10696823 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9520574-B2 Electroluminescent devices based on phosphorescent iridium and related group VIII metal multicyclic compounds COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-12-13 — — US disclosed
US-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-04-04 — — US disclosed
EP-2564446-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS Commonwealth Scientific and Industrial Research Organisation (AU) 2013-03-06 — — EP disclosed
WO-2011134013-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-03 — — 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-20130082248-A1 ELECTROLUMINESCENT DEVICES BASED ON PHOSPHORESCENT IRIDIUM AND RELATED GROUP VIII METAL MULTICYCLIC COMPOUNDS ICOSLG, ETV6, ROS1 HPGD 3462/4885L3MBTL1 2005/4885MAOA 2542/4885

“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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