SCHEMBL19794435

SCHEMBL19794435

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)c4)cn3)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
LDHA P00338 2/20 0.38
HPGDS O60760 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
DYRK1A Q13627 1/20 0.35
FEN1 P39748 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL21125844 0.96 HSD17B1 (0.44) PDK2HSD17B1HSD17B2HPGDSFEN1
SCHEMBL19794372 0.96 PDK2 (0.44) PDK2HSD17B1HSD17B2FEN1
SCHEMBL12140657 0.90 HSD17B1 (0.43) PDK2HSD17B1HSD17B2HPGDS
SCHEMBL19933646 0.90 PDK2 (0.43) PDK2HSD17B1HSD17B2FEN1
SCHEMBL6236658 0.87 HSD17B1 (0.45) PDK2HSD17B1HSD17B2
SCHEMBL18015500 0.87 PDK2 (0.33) PDK2HSD17B1HSD17B2HPGDSDYRK1A
SCHEMBL22037979 0.87 MEN1 (0.40) PDK2HSD17B1HSD17B2LDHAHPGDS
SCHEMBL22038510 0.86 MEN1 (0.42) PDK2LDHABAZ2B
SCHEMBL13388812 0.86 HSD17B1 (0.46) PDK2HSD17B1HSD17B2LDHAHPGDS
SCHEMBL22037501 0.85 MEN1 (0.41) PDK2LDHABAZ2B

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 PDK2 3655/4885HSD17B1 4860/4885HSD17B2 4834/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 PDK2 2111/4885HSD17B1 4527/4885HSD17B2 4245/4885

“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.