SCHEMBL3083687

SCHEMBL3083687

O=[C]OCc1ccc(O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.46
EP300 Q09472 3/20 0.38
KAT2B Q92831 3/20 0.38
KAT8 Q9H7Z6 3/20 0.38
HDAC3 O15379 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
LDHA P00338 1/20 0.38
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CTSB P07858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3083361 0.79 CYP1A2 (0.46) KDM4EHTTALDH1A1POLBMAPT
SCHEMBL5519683 0.77 IDO1 (0.55) IDO1KDM4ETSHR
SCHEMBL3088995 0.76 IMPDH2 (0.45)
SCHEMBL14008508 0.76 KDM4E (0.60) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL3090494 0.75 IDO1 (0.38) IDO1HDAC3
SCHEMBL29852 0.74 TDP1 (0.47) NPC1RAB9AALDH1A1MAPTTDP1
SCHEMBL3082795 0.72 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL3955098 0.72 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL3767629 0.72 HPRT1 (0.47) NPC1RAB9AALDH1A1TSHRTDP1
SCHEMBL29357437 0.72 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 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 (2 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 IDO1 3192/4885EP300 2901/4885KAT2B 2930/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 IDO1 192/4885EP300 2987/4885KAT2B 2379/4885

“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.