SCHEMBL5722912

SCHEMBL5722912

CCC1COc2c(OC)ccc(C(=O)O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CDC25B P30305 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
TSHR P16473 1/20 0.35
PSMB5 P28074 1/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
MYC P01106 1/20 0.34
APAF1 O14727 1/20 0.34

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
SCHEMBL5723139 0.90 KDM4E (0.42) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5723699 0.85 LMNA (0.39) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5723212 0.82 KDM4E (0.47) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5723136 0.78 KDM4E (0.43) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5722852 0.77 PDE4D (0.55)
SCHEMBL5228868 0.74 KDM4E (0.40) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL5723123 0.73 SMN1; SMN2 (0.44) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL6836485 0.71 L3MBTL1 (0.48) KDM4EALDH1A1CNR2HPGDMAPK1
SCHEMBL6839358 0.71 LMNA (0.35) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL20480189 0.71 KDM4E (0.43) KDM4EALDH1A1HSD17B10LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 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-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 KDM4E 3975/4885ALDH1A1 323/4885HSD17B10 153/4885

“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.