SCHEMBL6499688

SCHEMBL6499688

CCN(CCNC(=O)COc1ccccc1)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
BCHE P06276 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GLA P06280 2/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.48
FDFT1 P37268 1/20 0.47

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
SCHEMBL6506029 0.94 LMNA (0.55) CYP1A2CYP2C9CYP2C19TSHRHSD17B10
SCHEMBL6500610 0.87 GAA (0.59) TSHRHSD17B10KMT2AMEN1BCHE
SCHEMBL6504830 0.86 BCHE (0.54) TSHRHSD17B10KMT2AMEN1BCHE
SCHEMBL6508701 0.85 KDM4E (0.50) TSHRHSD17B10KMT2AMEN1BCHE
SCHEMBL6503729 0.83 EPHX2 (0.58) TSHRHSD17B10KMT2AMEN1BCHE
SCHEMBL6505391 0.83 TSHR (0.52) TSHRHSD17B10KMT2AMEN1BCHE
SCHEMBL6507435 0.83 RAB9A (0.49) CYP3A4TSHRHSD17B10KMT2AMEN1
SCHEMBL6498720 0.81 BCHE (0.59) TSHRHSD17B10KMT2ABCHEHTT
SCHEMBL6501980 0.81 GAA (0.69) TSHRHSD17B10BCHEKDM4EGAA
SCHEMBL6499395 0.80 BCHE (0.56) TSHRHSD17B10BCHEGLAHTT

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 CYP1A2 2179/4885CYP2D6 1424/4885CYP3A4 1514/4885

“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.