SCHEMBL17834011

SCHEMBL17834011

CCC(C)C(=O)OCCOCCOCCOCCOC(=O)C(C)CCC(CCC(CC)C(=O)Oc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.43
ESRRB O95718 4/20 0.35
KDM4E B2RXH2 1/20 0.34
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 2/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
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
SCHEMBL17834012 0.79 ELANE (0.46) ELANEESRRBKDM4EESR1MEN1
SCHEMBL17834010 0.79 ELANE (0.54) ELANEESRRBPRSS1TMPRSS15EPHX2
SCHEMBL17834013 0.74 ELANE (0.41) ELANEESRRBKDM4EGAAXBP1
SCHEMBL825544 0.71 ELANE (0.71) ELANEGAAL3MBTL1MEN1NPC1
SCHEMBL19680357 0.70 TDP1 (0.49) KDM4ENPSR1MEN1NPC1KMT2A
SCHEMBL12032774 0.70 TDP1 (0.49) KDM4ENPSR1MEN1NPC1KMT2A
SCHEMBL19862709 0.69 ELANE (0.61) ELANEGAAL3MBTL1MEN1KMT2A
SCHEMBL10050637 0.69 L3MBTL1 (0.59) ELANEPPARGPPARAGAAL3MBTL1
SCHEMBL12455656 0.69 PKM (0.50) PPARAGAANPSR1L3MBTL1MEN1
SCHEMBL25501774 0.68 RARB (0.53) KDM4EPRSS1NPC1

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-20160169920-A1 ION SENSOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-06-16 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-20160169920-A1 ION SENSOR ORAI1, CACNA1E, NCS1 ELANE 3815/4885ESRRB 2830/4885KDM4E 1995/4885

“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.