SCHEMBL20175930

SCHEMBL20175930

CCN(CCN(CC)Cc1ccc(C)cc1O)Cc1ccc(C)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
APEX1 P27695 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
KMT2A Q03164 1/20 0.55
MCL1 Q07820 1/20 0.55
HKDC1 Q2TB90 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
BCHE P06276 1/20 0.48
PRKCI P41743 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL20175929 0.83 PRKCI (0.53) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL20313359 0.80 MAPT (0.48) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL5268211 0.80 SRC (0.43) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL6266901 0.79 POLB (0.67) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL6267919 0.77 TDP1 (0.61) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL20175942 0.76 TSHR (0.59) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL6265673 0.76 TDP1 (0.59) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL23419206 0.75 PYCR1 (0.50) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL15383500 0.75 PRKCI (0.56) POLBMAPTALDH1A1HTTKDM4E
SCHEMBL12732465 0.75 HTT (0.45) MAPTALDH1A1HTTMEN1RECQL

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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 POLB 2257/4885MAPT 3805/4885ALDH1A1 181/4885

“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.