SCHEMBL25580759

SCHEMBL25580759

c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 1/20 0.30
PDK2 Q15119 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
SCHEMBL25580896 0.98 PDK2 (0.31) HSD17B1HSD17B2PDK2
SCHEMBL25581027 0.98 HDAC4 (0.32) HSD17B1HSD17B2CHRNA1CHRNGCHRNB1
SCHEMBL25580610 0.97 PDK2 (0.33) HSD17B1HSD17B2CHRNA1CHRNGCHRNB1
SCHEMBL23224443 0.96 HSD17B1 (0.34) HSD17B1HSD17B2CHRNA1CHRNGCHRNB1
SCHEMBL25580659 0.95 KDM4E (0.31)
SCHEMBL25580764 0.95 HSD17B1 (0.33) HSD17B1HSD17B2PDK2
SCHEMBL25580944 0.94 KDM4E (0.31) PDK2
SCHEMBL23225089 0.94 HSD17B1 (0.34) HSD17B1HSD17B2CHRNA1CHRNGCHRNB1
SCHEMBL24919174 0.94 HSD17B1 (0.35) HSD17B1HSD17B2CHRNA1CHRNGCHRNB1
SCHEMBL24841524 0.93 PDK2 (0.33) HSD17B1HSD17B2CHRNA1CHRNGCHRNB1

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 2771/4885CHRNA1 477/4885

“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.