SCHEMBL4598393

SCHEMBL4598393

CCOC(=O)C1CCN(C(=O)c2ccc(CO)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
GLA P06280 1/20 0.65
KMT2A Q03164 2/20 0.63
POLB P06746 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.62
GAA P10253 1/20 0.61
NPC1 O15118 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HPGD P15428 1/20 0.57
ADRB2 P07550 1/20 0.57
ADRB3 P13945 1/20 0.57
KCNH2 Q12809 1/20 0.57
PARP10 Q53GL7 1/20 0.55

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
SCHEMBL4172039 0.91 TSHR (0.67) TSHRGLAKMT2APOLBALDH1A1
SCHEMBL14409571 0.88 TSHR (0.70) TSHRGLAKMT2APOLBALDH1A1
SCHEMBL314589 0.85 TSHR (0.75) TSHRGLAKMT2AALDH1A1MEN1
SCHEMBL3339277 0.85 TSHR (0.67) TSHRGLAKMT2APOLBALDH1A1
SCHEMBL6973124 0.85 GAA (0.73) TSHRGLAKMT2APOLBALDH1A1
SCHEMBL4597842 0.83 TSHR (0.58) TSHRGLAKMT2APOLBALDH1A1
SCHEMBL6504430 0.83 KMT2A (0.74) TSHRGLAKMT2APOLBALDH1A1
SCHEMBL4468382 0.82 GAA (0.64) TSHRGLAKMT2APOLBALDH1A1
SCHEMBL12569718 0.81 TSHR (0.68) TSHRGLAKMT2APOLBALDH1A1
SCHEMBL7453966 0.80 MAPT (0.68) TSHRKMT2APOLBMEN1GAA

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 TSHR 2129/4885GLA 4694/4885KMT2A 4627/4885

“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.