SCHEMBL5719086

SCHEMBL5719086

[CH2]COc1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CYP2A6 P11509 2/20 0.40
KDM4E B2RXH2 2/20 0.40
FLT3 P36888 1/20 0.40
MGLL Q99685 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TYR P14679 1/20 0.39
DAO P14920 1/20 0.39
AKR1B1 P15121 1/20 0.39
POLB P06746 1/20 0.39
CA2 P00918 1/20 0.38
MAOB P27338 5/20 0.37
RAB9A P51151 2/20 0.37
MAOA P21397 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRA2A P08913 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
SCHEMBL18762013 0.81 POLB (0.47) AGXTLOXL2CYP2A6KDM4EFLT3
SCHEMBL28167314 0.79 AGXT (0.43) AGXTLOXL2CYP2A6KDM4EFLT3
SCHEMBL4678729 0.78 LOXL2 (0.50) AGXTLOXL2CYP2A6KDM4EFLT3
SCHEMBL10878681 0.78 AGXT (0.42) AGXTLOXL2CYP2A6KDM4EFLT3
SCHEMBL3541730 0.78 ALDH1A1 (0.49) AGXTLOXL2CYP2A6KDM4EHPGD
SCHEMBL921451 0.78 AGXT (0.44) AGXTLOXL2CYP2A6KDM4EFLT3
SCHEMBL4624720 0.77 LOXL2 (0.52) AGXTLOXL2CYP2A6KDM4EFLT3
SCHEMBL17394564 0.77 AGXT (0.47) AGXTLOXL2CYP2A6KDM4EFLT3
SCHEMBL28720245 0.77 ALDH1A1 (0.43) AGXTLOXL2KDM4EHSD17B10TDP1
SCHEMBL16534423 0.75 FAAH (0.44) AGXTLOXL2KDM4EMGLLHSD17B10

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-7074798-B2 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD (JP) 2006-07-11 US disclosed
EP-1338595-B1 Xanthine derivatives as DPP-IV inhibitors EISAI CO LTD (JP) 2006-05-03 EP disclosed
US-20040082570-A1 Xanthine derivative and DPPIV inhibitor EISAI CO., LTD. (JP) 2004-04-29 US disclosed
EP-1338595-A2 Xanthine derivatives as DPP-IV inhibitors Eisai Co., Ltd. (JP) 2003-08-27 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-20040082570-A1 Xanthine derivative and DPPIV inhibitor DPP4, DPP9, DPP7 AGXT 38/4885LOXL2 3923/4885CYP2A6 807/4885

“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.