SCHEMBL2768029

SCHEMBL2768029

CC(=O)OCc1cccc2c1CCc1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.50
ALDH1A1 P00352 7/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
CES1 P23141 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
MIF P14174 3/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAOA P21397 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
SCHEMBL2769156 0.84 ALDH1A1 (0.38) AKR1B1ALDH1A1MAPTKMT2AMEN1
SCHEMBL2770097 0.82 AKR1B1 (0.43) AKR1B1ALDH1A1MAPTKMT2AMEN1
SCHEMBL8473291 0.78 PNMT (0.54) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2770191 0.76 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL11523892 0.76 CES1 (0.53) AKR1B1ALDH1A1MAPTKMT2AMEN1
SCHEMBL2768852 0.75 TSHR (0.53) AKR1B1ALDH1A1MAPTKMT2AMEN1
SCHEMBL23723961 0.75 MAOA (0.49) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2769430 0.73 POLB (0.38) ALDH1A1KDM4EHPGD
SCHEMBL18079049 0.73 CES1 (0.42) AKR1B1ALDH1A1MAPTKMT2AMEN1
SCHEMBL10494210 0.71 CES1 (0.40) AKR1B1ALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
EP-1479670-B1 NOVEL FUSED RING INDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-7390797-B2 Fused indazole compounds EISAI CO., LTD. (JP) 2008-06-24 US disclosed
US-20060111419-A1 Novel fused indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-25 US disclosed
EP-1479670-A1 NOVEL FUSED RING INDAZOLE COMPOUNDS Eisai Co., Ltd. (JP) 2004-11-24 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-20060111419-A1 Novel fused indazole compounds MAP2K3, MAP3K11, MAP2K2 AKR1B1 947/4885ALDH1A1 1751/4885MAPT 2110/4885

“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.