SCHEMBL6607183

SCHEMBL6607183

COc1ccc(-c2cccc3c2COC3=O)c2c1OCCO2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.46
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.41
MAPT P10636 3/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KCNJ1 P48048 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
TOP2A P11388 1/20 0.38
CYP19A1 P11511 1/20 0.37
MAOB P27338 4/20 0.36
ACHE P22303 1/20 0.36
MIF P14174 1/20 0.36
PTPRF P10586 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
SCHEMBL78687 0.77 ACHE (0.53) PDE4DKDM4ELMNAALDH1A1CYP3A4
SCHEMBL31162811 0.77 ACHE (0.53) PDE4DKDM4ELMNAALDH1A1CYP3A4
SCHEMBL2591157 0.77 HDAC4 (0.51) PDE4DKDM4ELMNAALDH1A1CYP3A4
SCHEMBL4110681 0.74 KDM4E (0.57) PDE4DKDM4ELMNAALDH1A1CYP3A4
SCHEMBL2588301 0.73 PDE4D (0.45) PDE4DKDM4ELMNAHSD17B10ALDH1A1
SCHEMBL16760801 0.73 PDE4D (0.46) PDE4DKDM4ELMNAALDH1A1MAPT
SCHEMBL15988845 0.73 KDM4E (0.66) KDM4ELMNAHSD17B10ALDH1A1CYP3A4
SCHEMBL14734712 0.71 KDM4E (0.44) PDE4DKDM4ELMNAHSD17B10ALDH1A1
SCHEMBL2587484 0.71 PDE4D (0.48) PDE4DKDM4ELMNAHSD17B10ALDH1A1
SCHEMBL14735825 0.71 HDAC4 (0.42) PDE4DKDM4ELMNAALDH1A1CYP3A4

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
EP-1110961-B1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2004-07-14 EP disclosed
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 US disclosed
EP-1110961-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-06-27 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-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 PDE4D 3411/4885KDM4E 444/4885LMNA 4242/4885

“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.