SCHEMBL15328631

SCHEMBL15328631

CCC(CCOc1ccc(C#N)cc1)Oc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HRH3 Q9Y5N1 7/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 3/20 0.42
MMP3 P08254 2/20 0.40
SLC6A4 P31645 1/20 0.40
MAOB P27338 1/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
ACACB O00763 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
TBXAS1 P24557 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL8684544 0.81 ALDH1A1 (0.48) ALDH1A1HRH3KDM4EHPGDHTT
SCHEMBL8436335 0.80 MAPT (0.49) ALDH1A1MAPTHRH3HPGDMMP2
SCHEMBL29508350 0.80 TDP1 (0.61) ALDH1A1MAPTKDM4E
SCHEMBL10877536 0.80 CYP2A6 (0.41) ALDH1A1MAPTHRH3HPGDMAOB
SCHEMBL10880690 0.80 HRH3 (0.43) ALDH1A1MAPTHRH3HPGDMMP2
SCHEMBL9450590 0.78 TSHR (0.52) ALDH1A1HRH3KDM4EHPGDHTT
SCHEMBL9450589 0.78 TSHR (0.52) ALDH1A1HRH3KDM4EHPGDHTT
SCHEMBL19962760 0.78 TDP1 (0.61) ALDH1A1MAPTHRH3HPGDHTT
SCHEMBL16437754 0.76 MMP2 (0.51) ALDH1A1MAPTHRH3HPGDMMP2
SCHEMBL16437757 0.76 MMP2 (0.51) ALDH1A1MAPTHRH3HPGDMMP2

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-20130281462-A1 ARYL DIAMIDINES AND PRODRUGS THEREOF FOR TREATING MYOTONIC DYSTROPHY UNIVERSITY OF OREGON (US) 2013-10-24 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-20130281462-A1 ARYL DIAMIDINES AND PRODRUGS THEREOF FOR TREATING MYOTONIC DYSTROPHY HTT, ATXN2, SNRPD2 ALDH1A1 3631/4885MAPT 1866/4885HRH3 2738/4885

“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.