SCHEMBL13619824

SCHEMBL13619824

CC1(C)c2c(CO)cccc2N(CCOCCN(CC(=O)F)CC(=O)F)C12C=Nc1c(ccc3ccccc13)O2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
THRB P10828 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALOX12 P18054 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL14428005 0.90 KDM4E (0.48) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619825 0.89 MAPT (0.56) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL14439754 0.89 KDM4E (0.45) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619828 0.88 KDM4E (0.31) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619807 0.81 MAPT (0.61) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619897 0.80 KDM4E (0.34) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619831 0.79 KDM4E (0.31) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619830 0.79 MAPT (0.40) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL14428006 0.78 MAPT (0.61) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL13619829 0.78 MAPT (0.39) KDM4EMAPTTHRBSMN1; SMN2ALOX12

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-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 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-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 KDM4E 2669/4885MAPT 1551/4885THRB 4313/4885

“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.