SCHEMBL25445542

SCHEMBL25445542

CC(C)Oc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8ccc9c(c8)C(C)(C#N)c8cc(-c%10ccc(OC(C)C)cc%10)ccc8-9)c8nsnc78)ccc5-6)c5nsnc45)ccc2-3)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ MAP4K4 O95819 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 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
SCHEMBL25445613 0.95 MCL1 (0.31) MCL1
SCHEMBL25444650 0.91 MCL1 (0.38) MCL1PDK2MAP4K4
SCHEMBL25445532 0.91 MCL1 (0.38) MCL1PDK2MAP4K4
SCHEMBL25445453 0.90 MAP4K4 (0.38) MCL1PDK2MAP4K4
SCHEMBL25445903 0.88 PDK2 (0.38) MCL1PDK2MAP4K4
SCHEMBL25445501 0.86 MCL1 (0.35) MCL1PDK2MAP4K4
SCHEMBL25445892 0.82 PDK2 (0.44) MCL1PDK2MAP4K4
SCHEMBL25445553 0.81 PDK2 (0.35) MCL1PDK2MAP4K4
SCHEMBL25444742 0.79 PDK2 (0.36) MCL1PDK2MAP4K4CYP11B1CYP11B2
SCHEMBL25445440 0.79 ESR1 (0.35) PDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143779-A1 ORGANIC SOLID-STATE LASER, COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-05-11 — — 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-20230143779-A1 ORGANIC SOLID-STATE LASER, COMPOUND AND USE THEREOF LEF1, CCNT1, CCNT2 MCL1 1322/4885PDK2 3407/4885MAP4K4 2631/4885

“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.

Send feedback