SCHEMBL2770191

SCHEMBL2770191

CC(=O)OCc1cccc2c1CCc1ccccc1C2O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
ACP3 P15309 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA1A P35348 1/20 0.34
RET P07949 1/20 0.33
HTR2A P28223 1/20 0.33
MTNR1B P49286 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2769430 0.86 POLB (0.38) ALDH1A1CYP1A2CYP2D6CYP2C19ACP3
SCHEMBL18826285 0.82 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2C19ACP3POLB
SCHEMBL2768029 0.76 AKR1B1 (0.50) ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL8582924 0.76 HTR2A (0.38) CYP1A2CYP2D6CYP2C9CYP2C19CAMK2A
SCHEMBL27715176 0.73 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19POLBADRA1A
SCHEMBL8473291 0.72 PNMT (0.54) ALDH1A1CYP1A2KDM4EHSD17B10MTNR1B
SCHEMBL28050130 0.71 NAAA (0.49) ALDH1A1CYP1A2CYP2C19POLBKDM4E
SCHEMBL20306438 0.71 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C19POLBKDM4E
SCHEMBL19771492 0.71 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C19POLBKDM4E
SCHEMBL5255523 0.71 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C19POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1751/4885CYP1A2 625/4885CYP2D6 1318/4885

“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.