SCHEMBL25444744

SCHEMBL25444744

CCCCCCCCn1nc2c(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)ccc(-c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3ccccc3-4)c2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.36
▸ ICMT O60725 2/20 0.34
▸ SLC9A1 P19634 2/20 0.33
▸ PTPN11 Q06124 1/20 0.32
▸ CES1 P23141 2/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ TLR8 Q9NR97 1/20 0.32

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
SCHEMBL25444689 1.00 PDK2 (0.36) PDK2ICMTSLC9A1PTPN11CES1
SCHEMBL25444636 0.87 ICMT (0.33) ICMTMMP2MMP9MMP8MMP13
SCHEMBL25444687 0.85 PDK2 (0.40) PDK2PTPN11
SCHEMBL1994589 0.84 PDK2 (0.41) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL15957308 0.83 PDK2 (0.33) PDK2
SCHEMBL5354304 0.83 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL22402534 0.83 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25444633 0.83 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25444635 0.83 PDK2 (0.37) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL25444697 0.82 PDK2 (0.37) PDK2PTPN11

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 3407/4885ICMT 2909/4885SLC9A1 3618/4885

“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