SCHEMBL25444652

SCHEMBL25444652

CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(-c6ccc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(-c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9)ccc7-8)c7nsnc67)ccc4-5)c4nsnc34)cc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.32
▸ MMP9 P14780 4/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ PDK2 Q15119 1/20 0.30
▸ PTPN11 Q06124 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
SCHEMBL14369620 1.00 MMP2 (0.32) MMP2MMP9ESR1MMP8MMP13
SCHEMBL25444646 0.98 ESR1 (0.32) MMP2MMP9ESR1MMP8MMP13
SCHEMBL25444649 0.97 ESR1 (0.32) MMP2MMP9ESR1MMP8MMP13
SCHEMBL25444719 0.95 PDK2 (0.33) ESR1PDK2
SCHEMBL25444720 0.95 PDK2 (0.33) ESR1PDK2
SCHEMBL25444653 0.95 ESR1 (0.30) ESR1
SCHEMBL11917684 0.94 PDK2 (0.34) ESR1PDK2
SCHEMBL25444678 0.94 MMP2 (0.30) MMP2MMP9
SCHEMBL25444693 0.94 ESR1 (0.33) MMP2MMP9ESR1MMP8MMP13
SCHEMBL13581279 0.92 PDK2 (0.31) 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 MMP2 3492/4885MMP9 2711/4885ESR1 148/4885

“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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