SCHEMBL25445471

SCHEMBL25445471

Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)ccc6-7)c6nsnc56)ccc3-4)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.38
▸ ESR1 P03372 1/20 0.35
▸ PGR P06401 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 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
SCHEMBL25445468 0.94 ESR1 (0.37) PDK2ESR1
SCHEMBL11917694 0.92 PDK2 (0.39) PDK2ESR1PGRMEN1NPC1
SCHEMBL25445458 0.92 ESR1 (0.36) PDK2ESR1ALDH1A1
SCHEMBL17249781 0.92 PDK2 (0.37) PDK2ESR1PGR
SCHEMBL25445861 0.87 ESR1 (0.40) PDK2ESR1
SCHEMBL19726524 0.87 PDK2 (0.45) PDK2PGRMEN1NPC1RAB9A
SCHEMBL12157455 0.87 PDK2 (0.45) PDK2PGRMEN1NPC1RAB9A
SCHEMBL10013962 0.87 PDK2 (0.45) PDK2PGRMEN1NPC1RAB9A
SCHEMBL12157449 0.87 PDK2 (0.45) PDK2PGRMEN1NPC1RAB9A
SCHEMBL25445690 0.87 PDK2 (0.33) 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 PDK2 3407/4885ESR1 148/4885PGR 1435/4885

“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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