SCHEMBL25580729

SCHEMBL25580729

c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.36
▸ ACMSD Q8TDX5 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ DUSP3 P51452 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL25580478 0.97 MCL1 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL25581004 0.97 MCL1 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL25580790 0.94 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL21214786 0.94 MCL1 (0.40) MCL1ACMSDCA12CA1CA2
SCHEMBL25580726 0.93 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL18326959 0.93 CA12 (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL25580701 0.93 AHR (0.38) CA12CA1CA2CA9AHR
SCHEMBL21123748 0.93 MCL1 (0.39) MCL1ACMSDCA12CA1CA2
SCHEMBL21214861 0.93 MCL1 (0.39) MCL1ACMSDCA12CA1CA2
SCHEMBL25580626 0.93 AHR (0.38) CA12CA1CA2CA9AHR

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 MCL1 3310/4885ACMSD 3888/4885CA12 3422/4885

“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.

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