SCHEMBL24918532

SCHEMBL24918532

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.38
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL24919201 1.00 PDK2 (0.38) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL23224708 1.00 PDK2 (0.38) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL24919172 1.00 PDK2 (0.38) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL23225115 1.00 PDK2 (0.38) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL23224405 1.00 PDK2 (0.38) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL24919157 0.99 PDK2 (0.37) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL24918531 0.99 PDK2 (0.37) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL24841848 0.99 PDK2 (0.37) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL23179704 0.99 PDK2 (0.37) PDK2HSD17B1HSD17B2ESR1ESR2
SCHEMBL23179593 0.99 PDK2 (0.37) PDK2HSD17B1HSD17B2ESR1ESR2

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-20230024273-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-26 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-20230024273-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, L1CAM, PIEZO1 PDK2 2101/4885HSD17B1 2196/4885HSD17B2 2389/4885

“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.