SCHEMBL21497288

SCHEMBL21497288

CC(C)(C)C(=O)CCCCCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
HTR7 P34969 2/20 0.48
GLA P06280 1/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
KEAP1 Q14145 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL26382167 1.00 PAOX (0.54) PAOXSMN1; SMN2HTR7GLALMNA
SCHEMBL13168443 0.93 SMN1; SMN2 (0.54) PAOXSMN1; SMN2GLALMNAALDH1A1
SCHEMBL12428914 0.86 SMN1; SMN2 (0.62) PAOXSMN1; SMN2GLALMNAALDH1A1
SCHEMBL13135991 0.81 PAOX (0.77) PAOXSMN1; SMN2HTR7GLALMNA
SCHEMBL27055095 0.80 PAOX (0.50) PAOXSMN1; SMN2HTR7GLALMNA
SCHEMBL30489760 0.79 GLA (0.69) PAOXSMN1; SMN2HTR7GLALMNA
SCHEMBL5843494 0.79 KDM4E (0.57) PAOXSMN1; SMN2HTR7GLALMNA
SCHEMBL1194005 0.79 GLA (0.69) PAOXSMN1; SMN2HTR7GLALMNA
SCHEMBL9150763 0.79 GLA (0.69) PAOXSMN1; SMN2HTR7GLALMNA
SCHEMBL1726737 0.79 KDM4E (0.57) PAOXSMN1; SMN2HTR7GLALMNA

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-10450269-B1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-10-22 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-10450269-B1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB PAOX 1181/4885SMN1; SMN2 1207/4885HTR7 2696/4885

“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.