SCHEMBL12366809

SCHEMBL12366809

NNC(=O)c1ccc(-c2cc(O)c(O)c(O)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
MAPT P10636 4/20 0.66
ALDH1A1 P00352 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
BLM P54132 2/20 0.66
LMNA P02545 2/20 0.66
NSD2 O96028 1/20 0.66
ALPL P05186 1/20 0.66
POLB P06746 1/20 0.66
ALPI P09923 1/20 0.66
GAA P10253 1/20 0.66
ALPG P10696 1/20 0.66
APEX1 P27695 1/20 0.66
HTT P42858 1/20 0.66
RECQL P46063 1/20 0.66
CASP6 P55212 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
MPO P05164 2/20 0.57
CYP3A4 P08684 2/20 0.57
KDM5A P29375 1/20 0.57

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
SCHEMBL17044693 0.86 MPO (0.61) KDM4EMAPTALDH1A1L3MBTL1BLM
SCHEMBL23067282 0.85 BLM (0.57) KDM4EMAPTALDH1A1L3MBTL1BLM
SCHEMBL752600 0.84 MPO (0.70) KDM4EMAPTALDH1A1L3MBTL1BLM
SCHEMBL5480869 0.80 MPO (0.87) KDM4EMAPTALDH1A1L3MBTL1BLM
SCHEMBL1304499 0.80 KDM4E (1.00) KDM4EMAPTALDH1A1L3MBTL1BLM
SCHEMBL343630 0.77 MPO (0.80) KDM4EMAPTALDH1A1L3MBTL1BLM
SCHEMBL2678949 0.77 MPO (0.80) KDM4EMAPTALDH1A1L3MBTL1BLM
SCHEMBL9386909 0.76 MPO (0.59) KDM4EMAPTALDH1A1L3MBTL1BLM
SCHEMBL1706875 0.76 NPC1 (0.67) KDM4EMAPTALDH1A1L3MBTL1BLM
SCHEMBL28188923 0.75 MPO (0.76) KDM4EMAPTALDH1A1L3MBTL1BLM

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-7994423-B2 Charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2011-08-09 US disclosed
US-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof GEORGIA TECH RESEARCH CORPORATION 2009-03-12 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-20090065057-A1 Charge-Transport Materials, Methods of Fabrication Thereof, and Methods of Use Thereof SLC9A3, SLC18A2, SLC9A2 KDM4E 3683/4885MAPT 1876/4885ALDH1A1 3325/4885

“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.