SCHEMBL7524997

SCHEMBL7524997

COc1cc(CNCC(C)O)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 1/20 0.53
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.51
PTGS2 P35354 1/20 0.47
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46

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
SCHEMBL8322730 0.82 MEN1 (0.68) MEN1KMT2AGAAKDM4EPOLB
SCHEMBL9542251 0.82 GAA (0.71) MEN1KMT2AGAAKDM4EPOLB
SCHEMBL2977343 0.81 GAA (0.54) MEN1KMT2AGAAKDM4EPOLB
SCHEMBL207179 0.78 GAA (0.62) MEN1KMT2AGAAKDM4EPOLB
Acetic Acid SCHEMBL8322644 0.78 KMT2A (0.59) MEN1KMT2AGAAKDM4EPOLB
SCHEMBL2331661 0.77 POLB (0.58) MEN1KMT2AGAAKDM4EPOLB
SCHEMBL4106588 0.77 PTGS2 (0.55) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8533124 0.77 GAA (0.60) MEN1KMT2AGAAKDM4EPOLB
SCHEMBL8026574 0.77 GAA (0.60) MEN1KMT2AGAAKDM4EPOLB
SCHEMBL12473173 0.77 PTGS2 (0.61) MEN1KMT2AGAAKDM4EPOLB

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
US-20020132817-A1 Heterocyclic compounds, their production and use NATSUGARI HIDEAKI (JP) 2002-09-19 US disclosed
EP-1184036-A2 Heterocyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 2002-03-06 EP disclosed
EP-1145714-A1 DRUGS Takeda Chemical Industries, Ltd. (JP) 2001-10-17 EP disclosed
CN-1291099-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-11 CN disclosed
EP-1061926-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed
WO-1999047132-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-23 WO 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-20020132817-A1 Heterocyclic compounds, their production and use CRH, CRHR1, CRHR2 MEN1 669/4885KMT2A 765/4885GAA 4028/4885

“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.