SCHEMBL13398652

SCHEMBL13398652

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nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.47
SRR Q9GZT4 1/20 0.47
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGLN1 Q9GZT9 2/20 0.32
LMNA P02545 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
TSHR P16473 3/20 0.31
KDM4E B2RXH2 2/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
MMP12 P39900 1/20 0.30
FFAR3 O14843 1/20 0.30
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 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
SCHEMBL1980408 0.83
SCHEMBL28522 0.83 LDHA (0.67) LDHASRRALOX15HSD17B10EGLN1
SCHEMBL2184678 0.83 LDHA (0.67) LDHASRRALOX15HSD17B10EGLN1
SCHEMBL15422862 0.79 LDHA (0.61) LDHASRRALOX15HSD17B10EGLN1
SCHEMBL28480654 0.79 LDHA (0.61) LDHASRRALOX15HSD17B10EGLN1
SCHEMBL320091 0.79 LDHA (0.61) LDHASRRALOX15HSD17B10EGLN1
SCHEMBL320485 0.79 LDHA (0.61) LDHASRRALOX15HSD17B10EGLN1
SCHEMBL11603188 0.79 LDHA (0.61) LDHASRRALOX15HSD17B10EGLN1
SCHEMBL4579976 0.77 ALOX15 (0.58) LDHASRRALOX15HSD17B10TSHR
Hydrazine SCHEMBL28819948 0.76 LDHA (0.57) LDHASRRALOX15HSD17B10EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES BASF SE (DE) 2018-08-02 US disclosed
US-9921477-B2 Photoactivable nitrogen bases BASE SE (DE) 2018-03-20 US disclosed
US-20100105794-A1 PHOTOACTIVABLE NITROGEN BASES CIBA CORPORATION (US) 2010-04-29 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-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES CBR1, NR0B1, NR0B2 LDHA 4392/4885SRR 219/4885ALOX15 813/4885

“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.