SCHEMBL17327985

SCHEMBL17327985

COc1cc(/C=C/C(=O)NCCCc2ccc(O)cc2)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.78
ACHE P22303 1/20 0.72
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
MET P08581 2/20 0.68
CNR2 P34972 1/20 0.66
CA12 O43570 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
HTR7 P34969 1/20 0.64
CA5A P35218 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
CA5B Q9Y2D0 1/20 0.64
MAOA P21397 2/20 0.63
MAOB P27338 2/20 0.63
ABCB1 P08183 1/20 0.63
AKR1B1 P15121 1/20 0.63
KDM1A O60341 1/20 0.63

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
N-Trans-Feruloyl Tyramine SCHEMBL17693085 0.93 TYR (0.83) TYRACHEMETCNR2CA12
N-Trans-Feruloyl Tyramine SCHEMBL1675910 0.93 TYR (0.83) TYRACHEMETCNR2CA12
N-Trans-Feruloyl Tyramine SCHEMBL30069091 0.93 TYR (0.83) TYRACHEMETCNR2CA12
N-Trans-Feruloyl Tyramine SCHEMBL2378679 0.93 TYR (0.83) TYRACHEMETCNR2CA12
N-Trans-Feruloyl Tyramine SCHEMBL29477339 0.93 TYR (0.83) TYRACHEMETCNR2CA12
Terrestribisamide SCHEMBL10735557 0.88 TYR (1.00) TYRACHEKDM4EALDH1A1CA12
Terrestribisamide SCHEMBL30382198 0.88 TYR (1.00) TYRACHEKDM4EALDH1A1CA12
Terrestribisamide SCHEMBL31278144 0.88 TYR (1.00) TYRACHEKDM4EALDH1A1CA12
SCHEMBL802998 0.86 ACHE (0.79) TYRACHEKDM4EALDH1A1MAOA
SCHEMBL1917145 0.86 TYR (0.91) TYRACHEKDM4EALDH1A1MET

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-10450271-B2 Compounds for inhibition of fungal toxin production BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2019-10-22 US disclosed
US-9988352-B2 Compounds for inhibition of fungal toxin production BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2018-06-05 US disclosed
US-20170183309-A1 COMPOUNDS FOR INHIBITION OF FUNGAL TOXIN PRODUCTION BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2017-06-29 US disclosed
WO-2015188136-A1 COMPOUNDS FOR INHIBITION OF FUNGAL TOXIN PRODUCTION BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2015-12-10 WO 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-10450271-B2 Compounds for inhibition of fungal toxin production ERG28, CYP51A1, ETF1 TYR 35/4885ACHE 3823/4885KDM4E 1747/4885
US-20170183309-A1 COMPOUNDS FOR INHIBITION OF FUNGAL TOXIN PRODUCTION ERG28, CYP51A1, ETF1 TYR 35/4885ACHE 3823/4885KDM4E 1747/4885

“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.