SCHEMBL25444719

SCHEMBL25444719

CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc7c(c6)C(CCCCCC)(CCCCCC)c6cc(C)ccc6-7)ccc4-5)c4nsnc34)cc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.33
▸ ESR1 P03372 1/20 0.30
▸ ICMT O60725 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
SCHEMBL25444720 1.00 PDK2 (0.33) PDK2ESR1ICMT
SCHEMBL11917684 0.99 PDK2 (0.34) PDK2ESR1ICMT
SCHEMBL13581279 0.96 PDK2 (0.31) PDK2
SCHEMBL14369620 0.95 MMP2 (0.32) PDK2ESR1
SCHEMBL25444652 0.95 MMP2 (0.32) PDK2ESR1
SCHEMBL25444646 0.93 ESR1 (0.32) ESR1
SCHEMBL25444653 0.92 ESR1 (0.30) ESR1ICMT
SCHEMBL25444649 0.92 ESR1 (0.32) ESR1
SCHEMBL25444685 0.90 PDK2 (0.36) PDK2ICMT
SCHEMBL11917676 0.90 PDK2 (0.36) PDK2ICMT

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 148/4885ICMT 2909/4885

“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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