SCHEMBL6532498

SCHEMBL6532498

CCOC(=O)C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.82
TSHR P16473 3/20 0.67
CCR8 P51685 1/20 0.66
KMT2A Q03164 2/20 0.61
MGLL Q99685 1/20 0.61
GAA P10253 1/20 0.60
GLA P06280 1/20 0.60
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.56
PARP14 Q460N5 1/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL6973124 0.87 GAA (0.73) TSHRKMT2AGAAGLAKDM4E
SCHEMBL12569718 0.84 TSHR (0.68) PARP10TSHRKMT2AMGLLGAA
SCHEMBL654873 0.82 PARP10 (0.67) PARP10TSHRKMT2AMGLLGAA
SCHEMBL22720413 0.82 TSHR (0.65) PARP10TSHRKMT2AGAAGLA
SCHEMBL315088 0.82 TSHR (0.72) PARP10TSHRKMT2AMGLLGAA
SCHEMBL12911161 0.82 TSHR (0.69) PARP10TSHRKMT2AGAAGLA
SCHEMBL12545795 0.81 KMT2A (0.66) PARP10TSHRKMT2AMGLLGAA
SCHEMBL850957 0.79 PARP10 (0.63) PARP10TSHRKMT2AGAAGLA
SCHEMBL28109560 0.79 MGLL (0.63) PARP10KMT2AMGLLGAAKDM4E
SCHEMBL16002948 0.79 PARP10 (0.60) PARP10KMT2AMGLLGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 PARP10 3689/4885TSHR 3179/4885CCR8 1/4885

“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.