SCHEMBL6783249

SCHEMBL6783249

COc1ccc(-c2ncc3c(O)c(O)ccc3c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
GRK6 P43250 1/20 0.43
BLM P54132 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 3/20 0.42
CLK4 Q9HAZ1 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
Hydrochloric Acid SCHEMBL6542516 0.80 TDO2 (0.53) ALDH1A1KDM4EHPGDHIF1AEPAS1
SCHEMBL2430190 0.79 NPC1 (0.53) ALDH1A1KDM4EHPGDIDO1TDO2
SCHEMBL9264078 0.71 KDM4E (0.41) ALDH1A1KDM4EHPGDIDO1TDO2
SCHEMBL6777206 0.71 NPC1 (0.55) ALDH1A1KDM4EIDO1TDO2MAPT
SCHEMBL4037256 0.67 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDGAAESR2
SCHEMBL6777433 0.67 TDO2 (0.48) ALDH1A1KDM4EHPGDIDO1TDO2
SCHEMBL5313883 0.66 KDM4E (1.00) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL11219648 0.65 KDM4E (0.64) ALDH1A1KDM4EHPGDKMT2ACLK4
SCHEMBL11433999 0.65 LCK (0.56) ALDH1A1KDM4EHIF1AEPAS1GAA
SCHEMBL30932089 0.65 LCK (0.56) ALDH1A1KDM4EHIF1AEPAS1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723736-B2 FOR THERAPY INFLAMMATION, INFLAMMATORY DISEASES, IMMUNOLOGIC DISEASES AND OTHER DISEASES MEDIATED BY TUMOR NECROSIS FACTOR-ALPHA (TNF-ALPHA) AND/OR INTERLEUKIN 6 OR 10 AND/OR ENZYME CYCLOOXYGENASE-2 (COX-2) THERACOS, INC. 2004-04-20 US claimed
US-20020077333-A1 Tricyclic compounds and uses thereof THERACOS, INC. 2002-06-20 US claimed

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-20020077333-A1 Tricyclic compounds and uses thereof IL6, TNF, IL2 ALDH1A1 1436/4885KDM4E 3276/4885HPGD 74/4885

“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.