SCHEMBL17961972

SCHEMBL17961972

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nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.47
EPHX1 P07099 1/20 0.37
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MMP2 P08253 2/20 0.32
MMP13 P45452 2/20 0.32
PKM P14618 2/20 0.31
KDM4E B2RXH2 2/20 0.31
THRB P10828 1/20 0.31
ADRA1A P35348 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL13544391 0.81 NAALAD2 (0.47) NAALAD2EPHX1TSHRALDH1A1KDM4C
SCHEMBL5607969 0.81 NAALAD2 (0.47) NAALAD2EPHX1TSHRALDH1A1KDM4C
SCHEMBL25446061 0.79 NAALAD2 (0.45) NAALAD2EPHX1TSHRALDH1A1KDM4C
SCHEMBL14879626 0.79 NAALAD2 (0.45) NAALAD2EPHX1TSHRALDH1A1KDM4C
SCHEMBL9978303 0.77 NAALAD2 (0.44) NAALAD2EPHX1TSHRALDH1A1KDM4C
SCHEMBL24978672 0.77 NAALAD2 (0.53) NAALAD2EPHX1ALDH1A1PKMTHRB
SCHEMBL8995753 0.76 FPR2 (0.50) NAALAD2TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL8995757 0.76 FPR2 (0.50) NAALAD2TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL8995750 0.76 FPR2 (0.50) NAALAD2TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL2235123 0.75 ALDH1A1 (0.36) NAALAD2EPHX1TSHRALDH1A1KDM4C

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-20160221941-A1 SELENOCYSTINE DERIVATIVES, ALPHA-METHYLSELENOCYSTEINE, ALPHA-METHYLSELENOCYSTEINE DERIVATIVES, AND METHODS OF MAKING AND USING SAME UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 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 (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-20160221941-A1 SELENOCYSTINE DERIVATIVES, ALPHA-METHYLSELENOCYSTEINE, ALPHA-METHYLSELENOCYSTEINE DERIVATIVES, AND METHODS OF MAKING AND USING SAME SCLY, SELENOI, BHMT NAALAD2 434/4885EPHX1 446/4885TSHR 936/4885

“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.