SCHEMBL23340545

SCHEMBL23340545

COc1cc(C)cc(-c2cc(N)ccc2C)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
PLA2G7 Q13093 1/20 0.46
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
CYP19A1 P11511 3/20 0.41
NQO2 P16083 1/20 0.41
TUBB1 Q9H4B7 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41

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
SCHEMBL17655758 0.80 ACHE (0.76) ACHEMAPTTUBB1TUBB4ATUBB
SCHEMBL1724285 0.80 ALDH1A1 (0.52) ACHEPLA2G7MAPTGAATSHR
SCHEMBL21264353 0.74 MAPT (0.47) ACHEMAPTGAATSHRMAPK1
SCHEMBL30092397 0.74 PLA2G7 (0.65) ACHEPLA2G7MAPTGAATSHR
SCHEMBL8848693 0.74 PLA2G7 (0.65) ACHEPLA2G7MAPTGAATSHR
SCHEMBL31607621 0.74 PLA2G7 (0.65) ACHEPLA2G7MAPTGAATSHR
SCHEMBL264325 0.70 MAPT (0.57) MAPTGAATSHRMAPK1HTT
SCHEMBL16091526 0.70 ACHE (0.59) ACHEMAPTGAAALDH1A1KDM4E
SCHEMBL19034740 0.70 ACHE (0.59) ACHEMAPTGAATUBB1TUBB4A
SCHEMBL19351317 0.70 ACHE (0.59) ACHEMAPTCYP19A1NQO2TUBB1

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-20210128566-A1 NOVEL FUNCTIONALIZED PURINE-2,6-DIONES AND THEIR USE IN MEDICINE THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2021-05-06 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-20210128566-A1 NOVEL FUNCTIONALIZED PURINE-2,6-DIONES AND THEIR USE IN MEDICINE ADORA2A, HPRT1, PNP ACHE 3831/4885PLA2G7 2662/4885MAPT 4604/4885

“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.