SCHEMBL18917409

SCHEMBL18917409

C#CCO[C@H](c1cc(OC)c(OC)c(OC)c1)C1CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
PTPN1 P18031 1/20 0.39
CYP3A4 P08684 2/20 0.36
PTAFR P25105 2/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX5 P09917 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 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
SCHEMBL26596922 1.00 ACHE (0.39) ACHEPTPN1CYP3A4PTAFRMAPK3
SCHEMBL18917374 0.85 ALDH1A1 (0.38) ACHEMAPK3MAPK1ALOX5L3MBTL1
SCHEMBL18932275 0.85 ALDH1A1 (0.38) ACHEMAPK3MAPK1ALOX5L3MBTL1
SCHEMBL26660541 0.74 SLC6A2 (0.36) CYP3A4MAPK1MEN1KMT2A
SCHEMBL17758012 0.74 PTGS2 (0.42) ACHECYP3A4MAPK1L3MBTL1PTGS2
SCHEMBL19546163 0.71 HTR2A (0.40) ACHECYP3A4L3MBTL1PTGS2TUBB4A
SCHEMBL17375719 0.70 ACHE (0.51) ACHEPTPN1CYP3A4PTAFRMAPK3
SCHEMBL17371470 0.70 ACHE (0.51) ACHEPTPN1CYP3A4PTAFRMAPK3
SCHEMBL18943820 0.69 L3MBTL1 (0.37) ACHECYP3A4MAPK1ALOX5L3MBTL1
SCHEMBL18943821 0.69 MAPT (0.40) CYP3A4MAPK1L3MBTL1TUBB4ATUBB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160462-B1 LEOLIGIN DERIVATIVES AS PROLIFERATION INHIBITORS OF SMOOTH MUSCLE CELLS UNIV WIEN TECH (AT) 2023-11-22 EP disclosed
EP-3160462-B1 LEOLIGIN DERIVATIVES AS PROLIFERATION INHIBITORS OF SMOOTH MUSCLE CELLS UNIV WIEN TECH (AT) 2023-11-22 EP disclosed
EP-4265602-A2 LEOLIGIN DERIVATIVES AS PROLIFERATION INHIBITORS OF SMOOTH MUSCLE CELLS TECHNISCHE UNIVERSITÄT WIEN (AT) 2023-10-25 EP disclosed
EP-4265602-A2 LEOLIGIN DERIVATIVES AS PROLIFERATION INHIBITORS OF SMOOTH MUSCLE CELLS TECHNISCHE UNIVERSITÄT WIEN (AT) 2023-10-25 EP disclosed
US-20170157301-A1 LEOLIGIN DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS TECHNISCHE UNIVERSITÄET WIEN (AT) 2017-06-08 US disclosed
US-20170157301-A1 LEOLIGIN DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS TECHNISCHE UNIVERSITÄET WIEN (AT) 2017-06-08 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-20170157301-A1 LEOLIGIN DERIVATIVES AS SMOOTH MUSCLE CELL PROLIFERATION INHIBITORS CCNH, MYLK, CCAR2 ACHE 2780/4885PTPN1 4559/4885CYP3A4 4623/4885

“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.