SCHEMBL25444676

SCHEMBL25444676

CCCCCCCCOc1c(OCCCCCCCC)c(-c2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2-3)c2nsnc2c1-c1ccc2c(c1)C(CCCCCCCC)(CCCCCCCC)c1cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.34
▸ PTPN11 Q06124 5/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ MMP2 P08253 3/20 0.31
▸ MMP9 P14780 3/20 0.31
▸ MMP8 P22894 2/20 0.30
▸ MMP13 P45452 2/20 0.30
▸ THRA P10827 1/20 0.30
▸ THRB P10828 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
SCHEMBL25444746 0.95 PDK2 (0.37) PDK2PTPN11SOAT1
SCHEMBL25444695 0.90 PDK2 (0.33) PDK2
SCHEMBL25444670 0.89 PDK2 (0.30) PDK2
SCHEMBL25444688 0.88 PDK2 (0.42) PDK2PTPN11SOAT1MMP2MMP9
SCHEMBL25444686 0.88 PDK2 (0.42) PDK2PTPN11SOAT1MMP2MMP9
SCHEMBL25444652 0.87 MMP2 (0.32) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL14369620 0.87 MMP2 (0.32) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25445875 0.87 PDK2 (0.31) PDK2
SCHEMBL25444683 0.87 — —
SCHEMBL25444646 0.85 ESR1 (0.32) MMP2MMP9MMP8MMP13

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 3407/4885PTPN11 2261/4885SOAT1 1072/4885

“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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