SCHEMBL4477009

SCHEMBL4477009

O=C1c2cccc(Oc3ccc(-c4ccccc4)cc3)c2C(=O)c2cccc(Oc3ccc(-c4ccccc4)cc3)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.50
▸ KCNA3 P22001 1/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ PTGS2 P35354 1/20 0.46
▸ GSTP1 P09211 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ XBP1 P17861 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ MEN1 O00255 2/20 0.42

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
SCHEMBL11579860 0.91 ADORA2A (0.54) ADORA2AKCNA3NCOA1NCOA3PTGS2
SCHEMBL10927218 0.89 ADORA2A (0.60) ADORA2AKCNA3PTGS2BRD4MAPT
SCHEMBL1764840 0.86 ADORA2A (0.66) ADORA2AKCNA3PTGS2MAPTKMT2A
SCHEMBL10583717 0.84 ADORA2A (0.55) ADORA2AKCNA3NCOA1NCOA3PTGS2
SCHEMBL10546429 0.84 ADORA2A (0.58) ADORA2AKCNA3PTGS2BRD4MAPT
SCHEMBL11296482 0.83 ADORA2A (0.51) ADORA2AKCNA3PTGS2MAPTKMT2A
SCHEMBL4482378 0.82 KCNA3 (0.47) ADORA2AKCNA3NCOA1NCOA3PTGS2
SCHEMBL4471567 0.81 CES2 (0.49) ADORA2AKCNA3MAPTKMT2ASMN1; SMN2
SCHEMBL11855727 0.80 ADORA2A (0.51) ADORA2AKCNA3MAPTKMT2ASMN1; SMN2
SCHEMBL21816994 0.80 CES2 (0.53) ADORA2AKCNA3MAPTKMT2ASMN1; SMN2

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-7494721-B2 Light-emitting device, condensed polycyclic compound used therein and method for producing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-02-24 — — US disclosed
US-20060051612-A1 Light-emitting device, condensed polycyclic compound used therein and method for producing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-03-09 — — US disclosed
EP-1589089-A1 LIGHT-EMITTING DEVICE, CONDENSED POLYCYCLIC COMPOUND USED THEREIN AND METHOD FOR PRODUCING SAME Nippon Kayaku Kabushiki Kaisha (JP) 2005-10-26 — — 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-20060051612-A1 Light-emitting device, condensed polycyclic compound used therein and method for producing same CYBA, SCO2, NQO1 ADORA2A 2286/4885KCNA3 575/4885NCOA1 280/4885

“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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