SCHEMBL25580904

SCHEMBL25580904

c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
GSTP1 P09211 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL25581031 0.98 HSD17B1 (0.33) PDK2HDAC4HDAC2HDAC8HSD17B1
SCHEMBL25580764 0.98 HSD17B1 (0.33) PDK2HDAC4HDAC2HDAC8HSD17B1
SCHEMBL25580620 0.97 PDK2 (0.34) PDK2HDAC4HDAC2HDAC8HSD17B1
SCHEMBL25580896 0.95 PDK2 (0.31) PDK2HDAC4HDAC2HDAC8HSD17B1
SCHEMBL25580949 0.93 PDK2 (0.32) PDK2
SCHEMBL25581027 0.93 HDAC4 (0.32) PDK2HDAC4HDAC2HDAC8HSD17B1
SCHEMBL25580759 0.93 HSD17B1 (0.32) PDK2HSD17B1HSD17B2SLC6A2SLC6A4
SCHEMBL25580666 0.92 PDK2 (0.31) PDK2HDAC4HDAC2HDAC8HSD17B1
SCHEMBL22425210 0.92 PDK2 (0.37) PDK2HDAC4HDAC2HDAC8HSD17B1
SCHEMBL22425652 0.92 PDK2 (0.37) PDK2HDAC4HDAC2HDAC8HSD17B1

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-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-08 US disclosed
US-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-08 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-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, L1CAM, ESR2 PDK2 3173/4885HDAC4 3082/4885HDAC2 1509/4885

“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.