SCHEMBL25580951

SCHEMBL25580951

c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc(-c6ccccc6)c5-c5ccccc5-c5ccccc5)c4)c4ccc5ccccc5c4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
GSTP1 P09211 1/20 0.36
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
PTGES O14684 3/20 0.33
ALOX5 P09917 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL25580939 1.00 HDAC4 (0.37) HDAC4HDAC2HDAC8GSTP1HSD17B1
SCHEMBL25580903 0.96 HSD17B1 (0.40) HDAC4HDAC2HDAC8GSTP1HSD17B1
SCHEMBL25581033 0.96 HSD17B1 (0.40) HDAC4HDAC2HDAC8GSTP1HSD17B1
SCHEMBL25581024 0.96 HSD17B1 (0.40) HDAC4HDAC2HDAC8GSTP1HSD17B1
SCHEMBL25580892 0.96 HSD17B1 (0.40) HDAC4HDAC2HDAC8GSTP1HSD17B1
SCHEMBL25580661 0.96 HSD17B1 (0.37) HDAC4HDAC2HDAC8GSTP1HSD17B1
SCHEMBL25580672 0.96 HSD17B1 (0.37) HDAC4HDAC2HDAC8GSTP1HSD17B1
SCHEMBL25580763 0.94 HSD17B1 (0.41) HDAC4HDAC2HDAC8GSTP1HSD17B1
SCHEMBL25580755 0.94 HSD17B1 (0.41) HDAC4HDAC2HDAC8GSTP1HSD17B1
SCHEMBL25580418 0.93 ESR2 (0.38) HDAC4HDAC2HDAC8GSTP1HSD17B1

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 HDAC4 3082/4885HDAC2 1509/4885HDAC8 3848/4885

“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.