SCHEMBL13619838

SCHEMBL13619838

CCOC(=O)CCN(CCC(=O)OCC)CCN1c2ccccc2C(C)(C)C12C=Nc1c(c(CI)cc3ccccc13)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
THRB P10828 5/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALOX12 P18054 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 2/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL13631841 0.92 KDM4E (0.39) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619842 0.86 MAPT (0.42) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619835 0.86 MAPT (0.57) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619815 0.82 MAPT (0.42) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619850 0.81 MAPT (0.50) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619816 0.81 KDM4E (0.41) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619843 0.81 MAPT (0.48) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14427993 0.80 MAPT (0.46) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL13619832 0.80 MAPT (0.44) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL14427994 0.79 MAPT (0.46) MAPTTHRBKDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 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 (2 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-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 MAPT 1551/4885THRB 4313/4885KDM4E 2669/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 MAPT 1551/4885THRB 4313/4885KDM4E 2669/4885

“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.