SCHEMBL25580418

SCHEMBL25580418

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-c5cccc(-c6ccccc6)c5-c5ccccc5-c5ccccc5)ccc4c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.38
ESR1 P03372 5/20 0.38
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GSTP1 P09211 1/20 0.35
BACE1 P56817 1/20 0.34
PTGS2 P35354 1/20 0.34
HSD17B1 P14061 3/20 0.33
HSD17B2 P37059 3/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PSMB5 P28074 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL25580672 0.94 HSD17B1 (0.37) ESR2ESR1HDAC4HDAC2HDAC8
SCHEMBL25580661 0.94 HSD17B1 (0.37) ESR2ESR1HDAC4HDAC2HDAC8
SCHEMBL25580939 0.93 HDAC4 (0.37) ESR2ESR1HDAC4HDAC2HDAC8
SCHEMBL25580951 0.93 HDAC4 (0.37) ESR2ESR1HDAC4HDAC2HDAC8
SCHEMBL25580438 0.92 MCL1 (0.42) HDAC4HDAC2HDAC8CYP2C9CYP2C19
SCHEMBL25581033 0.92 HSD17B1 (0.40) ESR2ESR1HDAC4HDAC2HDAC8
SCHEMBL25580892 0.92 HSD17B1 (0.40) ESR2ESR1HDAC4HDAC2HDAC8
SCHEMBL25581024 0.92 HSD17B1 (0.40) ESR2ESR1HDAC4HDAC2HDAC8
SCHEMBL25580621 0.91 HSD17B1 (0.44) ESR2ESR1HDAC4HDAC2HDAC8
SCHEMBL27963528 0.91 ESR2 (0.38) ESR2ESR1HDAC4HDAC2HDAC8

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 ESR2 3/4885ESR1 1/4885HDAC4 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.