SCHEMBL12848655

SCHEMBL12848655

CCC(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 4/20 0.71
HPGD P15428 3/20 0.71
LMNA P02545 1/20 0.71
P4HB P07237 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HMGCR P04035 1/20 0.40
IDO1 P14902 1/20 0.39
CYP19A1 P11511 1/20 0.39
NQO2 P16083 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PLG P00747 1/20 0.38

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
SCHEMBL12596874 0.83 KDM4E (0.77) ALDH1A1KDM4EHPGDLMNAP4HB
SCHEMBL1771123 0.83 HPGD (1.00) ALDH1A1KDM4EHPGDLMNAP4HB
SCHEMBL30503469 0.82 KDM4E (0.75) ALDH1A1KDM4EHPGDLMNAP4HB
Hydrochloric Acid SCHEMBL3555727 0.82 HPGD (0.97) ALDH1A1KDM4EHPGDLMNAP4HB
SCHEMBL28941241 0.82 KDM4E (0.75) ALDH1A1KDM4EHPGDLMNAP4HB
SCHEMBL2908238 0.82 KDM4E (0.75) ALDH1A1KDM4EHPGDLMNAP4HB
SCHEMBL3555723 0.82 HPGD (0.75) ALDH1A1KDM4EHPGDLMNAP4HB
SCHEMBL18595553 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDLMNAP4HB
SCHEMBL12392288 0.79 KDM4E (0.71) ALDH1A1KDM4EHPGDLMNAP4HB
SCHEMBL2906697 0.77 KDM4E (0.68) ALDH1A1KDM4EHPGDLMNAP4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065767-A1 Substituted CC-1065 Analogs and Their Conjugates SYNTARGA B.V. (NL) 2011-03-17 US 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-20110065767-A1 Substituted CC-1065 Analogs and Their Conjugates PCNA, TOP1, TOP2B ALDH1A1 2231/4885KDM4E 752/4885HPGD 3515/4885

“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.