SCHEMBL17367472

SCHEMBL17367472

CC(=O)C1(c2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
DGAT1 O75907 1/20 0.33
USP30 Q70CQ3 1/20 0.33
LIPG Q9Y5X9 5/20 0.32
LPL P06858 4/20 0.32
HIF1A Q16665 3/20 0.32
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
ROCK1 Q13464 1/20 0.30

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
SCHEMBL17215500 0.88 AAK1 (0.37) AAK1PRMT5WDR77
SCHEMBL17367471 0.80 CSF1R (0.37) LIPGLPLHIF1APDGFRBKDR
SCHEMBL17367468 0.80 SLC6A3 (0.35) AAK1
SCHEMBL15912465 0.78 LIPG (0.53) LIPGLPL
SCHEMBL14790503 0.76 LIPG (0.45) LIPGLPL
SCHEMBL15854185 0.74 OPRM1 (0.41)
SCHEMBL16113878 0.73 BACE1 (0.49) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL17367477 0.73 PTGS1 (0.32)
SCHEMBL25235246 0.72 AAK1 (0.46) AAK1PRMT5WDR77BACE1BACE2
SCHEMBL2362943 0.72 AAK1 (0.45) 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2015-12-31 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-20150376160-A1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND LPAR3, LPAR1, LPAR2 AAK1 1949/4885PRMT5 1798/4885WDR77 1720/4885

“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.