SCHEMBL26482174

SCHEMBL26482174

CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5c(O)c(O)c(O)c(O)c5O)ccc34)cc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ PDK2 Q15119 4/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ PSD A5PKW4 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
SCHEMBL29295617 0.92 MCL1 (0.36) MCL1ACMSDPDK2ENPP3ENPP1
SCHEMBL26482163 0.92 PDK2 (0.36) ALOX5PDK2
SCHEMBL26859833 0.91 PDK2 (0.34) MCL1ACMSDPDK2ENPP3ENPP1
SCHEMBL26020023 0.89 PDK2 (0.39) MCL1ACMSDPDK2ENPP3ENPP1
SCHEMBL25577842 0.89 PDK2 (0.39) MCL1ACMSDPDK2ENPP3ENPP1
SCHEMBL23056799 0.88 ENPP3 (0.32) PDK2ENPP3ENPP1CA12CA1
SCHEMBL26482170 0.88 PDK2 (0.38) PDK2
SCHEMBL20365321 0.87 PDK2 (0.34) PDK2ENPP3ENPP1CA12CA1
SCHEMBL25580156 0.87 PDK2 (0.39) MCL1ACMSDPDK2ENPP3ENPP1
SCHEMBL29317026 0.87 CA12 (0.40) MCL1ACMSDPDK2ENPP3ENPP1

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-20230128708-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2023-04-27 — — US disclosed
US-20230128708-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2023-04-27 — — 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-20230128708-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND PIEZO1, TMEM109, OXA1L MCL1 2105/4885ACMSD 910/4885ALOX5 4031/4885

“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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