SCHEMBL17866313

SCHEMBL17866313

COc1cc(C=CCOC(=O)C=Cc2cc(OC)c(O)c(OC)c2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.72
MAOB P27338 2/20 0.69
EPHX2 P34913 1/20 0.64
CA12 O43570 3/20 0.62
CA4 P22748 3/20 0.62
CA6 P23280 3/20 0.62
CA5A P35218 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
CA5B Q9Y2D0 3/20 0.62
CYP2D6 P10635 3/20 0.60
ALOX5 P09917 3/20 0.60
CYP2C9 P11712 2/20 0.60
TSHR P16473 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP1A2 P05177 2/20 0.60
NFKB1 P19838 2/20 0.60
HSD11B1 P28845 2/20 0.60
STAT3 P40763 2/20 0.60

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
SCHEMBL10054939 1.00 MET (0.72) METMAOBEPHX2CA12CA4
SCHEMBL434930 0.95 MAOB (0.76) METMAOBEPHX2CA12CA4
SCHEMBL27520787 0.95 MAOB (0.76) METMAOBEPHX2CA12CA4
SCHEMBL10054940 0.95 MAOB (0.76) METMAOBEPHX2CA12CA4
SCHEMBL29578252 0.94 MET (0.65) METMAOBEPHX2ALOX5APP
SCHEMBL29577685 0.91 MAOB (0.70) METMAOBEPHX2CA12CA4
SCHEMBL15019742 0.91 MAOB (0.70) METMAOBEPHX2CA12CA4
SCHEMBL29848508 0.91 MET (0.70) METCYP2D6ALOX5CYP2C9CYP1A2
SCHEMBL432405 0.90 MET (0.69) METMAOBEPHX2CA12CA4
SCHEMBL20515821 0.90 MET (0.69) METMAOBEPHX2CA12CA4

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-11414372-B2 Methods for detecting and determining levels of monolignol ester conjugates incorporated into lignin and compounds relating thereto WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-08-16 US disclosed
US-20190152890-A1 METHODS FOR DETECTING AND DETERMINING LEVELS OF MONOLIGNOL ESTER CONJUGATES INCORPORATED INTO LIGNIN AND COMPOUNDS RELATING THERETO WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-23 US disclosed
US-10227287-B2 Method for detecting and determining levels of monolignol ester conjugates incorporated into lignin and compounds relating thereto WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-03-12 US disclosed
US-20160187345-A1 METHODS FOR DETECTING AND DETERMINING LEVELS OF MONOLIGNOL ESTER CONJUGATES INCORPORATED INTO LIGNIN AND COMPOUNDS RELATING THERETO WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-30 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 (4 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-20190152890-A1 METHODS FOR DETECTING AND DETERMINING LEVELS OF MONOLIGNOL ESTER CONJUGATES INCORPORATED INTO LIGNIN AND COMPOUNDS RELATING THERETO HAAO, LPO, GUSB MET 3250/4885MAOB 686/4885EPHX2 122/4885
US-10227287-B2 Method for detecting and determining levels of monolignol ester conjugates incorporated into lignin and compounds relating thereto HAAO, LPO, LANCL1 MET 2953/4885MAOB 632/4885EPHX2 145/4885
US-11414372-B2 Methods for detecting and determining levels of monolignol ester conjugates incorporated into lignin and compounds relating thereto HAAO, AOX1, LPO MET 2886/4885MAOB 556/4885EPHX2 268/4885
US-20160187345-A1 METHODS FOR DETECTING AND DETERMINING LEVELS OF MONOLIGNOL ESTER CONJUGATES INCORPORATED INTO LIGNIN AND COMPOUNDS RELATING THERETO HAAO, LPO, GUSB MET 3250/4885MAOB 686/4885EPHX2 122/4885

“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.