SCHEMBL17961925

SCHEMBL17961925

COc1cc(OC)c2c(CCCl)cc(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
KDM4E B2RXH2 6/20 0.61
HPGD P15428 6/20 0.61
HSD17B10 Q99714 5/20 0.61
LMNA P02545 3/20 0.61
GAA P10253 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 5/20 0.50
GLA P06280 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
CYP3A4 P08684 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA3 P0DMS8 4/20 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
SCHEMBL17973508 0.89 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL17961929 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL17973509 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL17961928 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL12993680 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL17973512 0.77 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL8745812 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL12920712 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL67224 0.76 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL5346582 0.75 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180163011-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME ALLTECH, INC. (US) 2018-06-14 US claimed
US-9902830-B2 Aflatoxin templates, molecularly imprinted polymers, and methods of making and using the same ALLTECH, INC. (US) 2018-02-27 US claimed
US-20160347923-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME ALLTECH, INC. (US) 2016-12-01 US claimed
US-20160221983-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME ALLTECH, INC. 2016-08-04 US claimed
US-20180163011-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME ALLTECH, INC. (US) 2018-06-14 US disclosed
US-9902830-B2 Aflatoxin templates, molecularly imprinted polymers, and methods of making and using the same ALLTECH, INC. (US) 2018-02-27 US disclosed
US-20160347923-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME ALLTECH, INC. (US) 2016-12-01 US disclosed
US-20160221983-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME ALLTECH, INC. 2016-08-04 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-20180163011-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME AKR7A2, IGF2R, CD68 ALDH1A1 1736/4885KDM4E 3812/4885HPGD 2948/4885
US-20160221983-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME AKR7A2, IGF2R, CD68 ALDH1A1 1736/4885KDM4E 3812/4885HPGD 2948/4885

“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.