SCHEMBL16724753

SCHEMBL16724753

COc1ccc2c(CC(N)C(=O)C(C)(C)C)cc(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.60
▸ LCK P06239 1/20 0.60
▸ ALDH1A1 P00352 6/20 0.59
▸ HPGD P15428 4/20 0.59
▸ CYP2D6 P10635 2/20 0.56
▸ CA12 O43570 6/20 0.53
▸ CA1 P00915 6/20 0.53
▸ CA2 P00918 6/20 0.53
▸ CA9 Q16790 6/20 0.53
▸ CYP19A1 P11511 1/20 0.52
▸ CA3 P07451 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ CA5B Q9Y2D0 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ NPC1 O15118 1/20 0.50

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
SCHEMBL10061011 0.87 KDM4E (0.67) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL14473551 0.87 KDM4E (0.67) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL31537502 0.87 KDM4E (0.67) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL16728147 0.87 KDM4E (0.64) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL5272449 0.87 KDM4E (0.67) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL17874880 0.87 KDM4E (0.64) KDM4ELCKALDH1A1HPGDCYP2D6
Trifluoroacetic Acid SCHEMBL6028156 0.84 KDM4E (0.60) KDM4ELCKALDH1A1HPGDCYP2D6
Trifluoroacetic Acid SCHEMBL5622459 0.84 KDM4E (0.60) KDM4ELCKALDH1A1HPGDCYP2D6
Trifluoroacetic Acid SCHEMBL5622457 0.84 KDM4E (0.60) KDM4ELCKALDH1A1HPGDCYP2D6
SCHEMBL5622781 0.82 KDM4E (0.61) KDM4ELCKALDH1A1HPGDCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376700-B2 Methods of modifying N-termini of a peptide or protein using transferases THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-06-28 — — US disclosed
US-20150140605-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2015-05-21 — — 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-20150140605-A1 ONE STEP N-TERMINAL TAGGING OF PROTEINS TRMT1, RNGTT, NSUN3 KDM4E 2042/4885LCK 1782/4885ALDH1A1 2961/4885

“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.

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