SCHEMBL19794464

SCHEMBL19794464

c1ccc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5cnc(-c6ccccc6)cc5-c5ccccc5)c4)cn3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.42
HPGDS O60760 1/20 0.42
DYRK1A Q13627 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
USP7 Q93009 1/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MAP4K4 O95819 2/20 0.38
BAZ2B Q9UIF8 1/20 0.38
CHEK2 O96017 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23956184 1.00 LDHA (0.42) LDHAHPGDSDYRK1AHSD17B1HSD17B2
SCHEMBL21125093 0.98 LDHA (0.44) LDHAHPGDSDYRK1AHSD17B1HSD17B2
SCHEMBL18015599 0.98 LDHA (0.44) LDHAHPGDSDYRK1AHSD17B1HSD17B2
SCHEMBL18015492 0.98 LDHA (0.44) LDHAHPGDSDYRK1AHSD17B1HSD17B2
SCHEMBL23956164 0.96 HSD17B1 (0.49) LDHAHPGDSDYRK1AHSD17B1HSD17B2
SCHEMBL23956185 0.96 HSD17B1 (0.49) LDHAHPGDSDYRK1AHSD17B1HSD17B2
SCHEMBL19794438 0.91 HSD17B1 (0.43) LDHAHPGDSDYRK1AHSD17B1HSD17B2
SCHEMBL19794370 0.90 LDHA (0.50) LDHAHPGDSDYRK1AHSD17B1HSD17B2
SCHEMBL18015495 0.90 LDHA (0.50) LDHAHPGDSDYRK1AHSD17B1HSD17B2
SCHEMBL19794431 0.90 LDHA (0.50) LDHAHPGDSDYRK1AHSD17B1HSD17B2

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-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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 (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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC LDHA 2726/4885HPGDS 4832/4885DYRK1A 2540/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885HPGDS 4844/4885DYRK1A 4414/4885

“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.