SCHEMBL25580307

SCHEMBL25580307

c1ccc(-c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PTGES O14684 3/20 0.32
ALOX5 P09917 3/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
GSTP1 P09211 1/20 0.31
PTGS2 P35354 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
SCHEMBL25580304 1.00 HSD17B1 (0.36) HSD17B1HSD17B2HDAC4HDAC2HDAC8
SCHEMBL25580269 0.95 HSD17B1 (0.42) HSD17B1HSD17B2HDAC4HDAC2HDAC8
SCHEMBL25580262 0.95 HSD17B1 (0.42) HSD17B1HSD17B2HDAC4HDAC2HDAC8
SCHEMBL25580395 0.94 HSD17B1 (0.39) HSD17B1HSD17B2HDAC4HDAC2HDAC8
SCHEMBL25580384 0.94 HSD17B1 (0.39) HSD17B1HSD17B2HDAC4HDAC2HDAC8
SCHEMBL25580301 0.93 MCL1 (0.37) HSD17B1HSD17B2HDAC8
SCHEMBL25580034 0.92 HSD17B1 (0.34) HSD17B1HSD17B2HDAC4HDAC2HDAC8
SCHEMBL25580104 0.92 HSD17B1 (0.34) HSD17B1HSD17B2HDAC4HDAC2HDAC8
SCHEMBL25580672 0.90 HSD17B1 (0.37) HSD17B1HSD17B2HDAC4HDAC2HDAC8
SCHEMBL25580661 0.90 HSD17B1 (0.37) HSD17B1HSD17B2HDAC4HDAC2HDAC8

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 HSD17B1 3017/4885HSD17B2 2771/4885HDAC4 3082/4885

“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.