SCHEMBL13039718

SCHEMBL13039718

CCC(=O)OCCc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
DGKA P23743 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30944141 0.83 HTT (0.38) GAAHTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL27410760 0.83 ALDH1A1 (0.36) GAAHTTKDM4ENAAAALDH1A1
SCHEMBL28715109 0.80 LMNA (0.38) CYP2C19LMNA
SCHEMBL8448307 0.77 CYP4F2 (0.45) GAAKDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL3007160 0.77 ALDH1A1 (0.37) KDM4EALDH1A1HPGDLMNAMAPK1
SCHEMBL4381007 0.77 SMN1; SMN2 (0.52) GAAHPGDL3MBTL1SMN1; SMN2
SCHEMBL4385060 0.75 CYP1A2 (0.46) CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3010143 0.75 TSHR (0.45) GAAKDM4ENAAAALDH1A1CYP1A2
SCHEMBL889268 0.75 ALDH1A1 (0.41) ALDH1A1LMNADGKAMAPK1SMN1; SMN2
SCHEMBL7974811 0.75 TDP1 (0.51) ALDH1A1CYP1A2LMNAL3MBTL1

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-8524783-B2 Polymer micelles containing anthracylines for the treatment of cancer INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2013-09-03 US disclosed
US-20100278928-A1 POLYMER MICELLES CONTAINING ANTHRACYLINES FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 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-20100278928-A1 POLYMER MICELLES CONTAINING ANTHRACYLINES FOR THE TREATMENT OF CANCER ABCB4, TOP2A, ANXA5 GAA 1429/4885HTT 1346/4885KDM4E 1500/4885

“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.