SCHEMBL13229798

SCHEMBL13229798

CCC(O)CCN(C)C(=O)CCl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.33

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
SCHEMBL19731218 0.87 EPHX2 (0.35) ALDH1A1HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL6079513 0.78 GPR84 (0.31)
SCHEMBL13498451 0.78 ALDH1A1 (0.39) ALDH1A1HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL31443083 0.76 ALDH1A1 (0.47) ALDH1A1HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL228021 0.74
SCHEMBL3061834 0.72
SCHEMBL228277 0.71 ALDH1A1 (0.43) ALDH1A1HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL782534 0.70
SCHEMBL944433 0.69 ALDH1A1 (0.49) ALDH1A1HTTRAB9ASMN1; SMN2KDM4E
SCHEMBL18659965 0.69

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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 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 (2 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 ALDH1A1 903/4885HTT 4802/4885RAB9A 4434/4885
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 ALDH1A1 1547/4885HTT 4782/4885RAB9A 2624/4885

“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.