SCHEMBL6505840

SCHEMBL6505840

CCN(Cc1cccc(Oc2ccccc2OC)c1)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
USP30 Q70CQ3 3/20 0.44
CCR8 P51685 4/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
SLC2A1 P11166 1/20 0.41
PDE4B Q07343 1/20 0.41
PRMT5 O14744 1/20 0.40
AHCY P23526 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
BCHE P06276 2/20 0.40
HTR6 P50406 2/20 0.40
APLNR P35414 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MGLL Q99685 1/20 0.39

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
SCHEMBL6508861 0.82 KMT2A (0.47) KMT2ACCR8KDM4E
SCHEMBL6503017 0.80 USP30 (0.52) USP30CCR8PDE4BAHCYBCHE
SCHEMBL24424432 0.79 JAK2 (0.61) KMT2AUSP30JAK2JAK1PRMT5
SCHEMBL31737363 0.79 JAK2 (0.61) KMT2AUSP30JAK2JAK1PRMT5
SCHEMBL18081469 0.78 JAK2 (0.62) KMT2AUSP30JAK2JAK1KDM4E
SCHEMBL8363934 0.75 MMP1 (0.48) KMT2AUSP30SLC2A1
SCHEMBL6499120 0.74 EED (0.47) CCR8
SCHEMBL7063338 0.74 CCR8 (0.38) KMT2ACCR8KDM4E
SCHEMBL29243776 0.73 JAK2 (0.66) KMT2AUSP30JAK2JAK1KDM4E
SCHEMBL29243644 0.73 JAK2 (0.66) KMT2AUSP30JAK2JAK1KDM4E

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 3 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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 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 KMT2A 4477/4885USP30 4156/4885CCR8 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.