SCHEMBL29318122

SCHEMBL29318122

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C1CC1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.41
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
USP30 Q70CQ3 1/20 0.36
PDE4B Q07343 3/20 0.36
CSF1R P07333 1/20 0.36
DGAT1 O75907 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
HIF1A Q16665 2/20 0.33
NR1I2 O75469 1/20 0.33
HTR2A P28223 1/20 0.32
ROCK1 Q13464 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL13310395 0.79 PRMT5 (0.37) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL3452373 0.79 PRMT5 (0.37) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL3452376 0.79 PRMT5 (0.37) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL29318567 0.77 TSHR (0.42) PDE4BMTNR1AMTNR1B
SCHEMBL29318592 0.77 CA1 (0.39) AAK1PDE4BDGAT1HIF1AHTR2A
SCHEMBL29322513 0.77 CA1 (0.39) AAK1PDE4BDGAT1HIF1AHTR2A
SCHEMBL25235246 0.75 AAK1 (0.46) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL3448562 0.74 USP30 (0.37) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL13310393 0.74 USP30 (0.37) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL3448559 0.74 USP30 (0.37) AAK1PRMT5WDR77BACE1BACE2

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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP AAK1 2836/4885PRMT5 1337/4885WDR77 2873/4885

“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.