SCHEMBL6865227

SCHEMBL6865227

Cn1ccc(C(=O)NCCCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.65
LIPC P11150 1/20 0.65
ALOX5 P09917 2/20 0.51
NAAA Q02083 2/20 0.47
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL7043047 1.00 LIPG (0.65) LIPGLIPCALOX5NAAATSHR
SCHEMBL8912311 0.98 LIPG (0.67) LIPGLIPCALOX5NAAATSHR
SCHEMBL6858842 0.95 LIPG (0.67) LIPGLIPCALOX5NAAATSHR
SCHEMBL8333948 0.94 LIPG (0.60) LIPGLIPCALOX5NAAATSHR
SCHEMBL8336135 0.93 LIPG (0.61) LIPGLIPCALOX5NAAATSHR
SCHEMBL8334416 0.91 LIPG (0.62) LIPGLIPCALOX5NAAATSHR
SCHEMBL6862929 0.88 LIPG (0.58) LIPGLIPCALOX5NAAATSHR
SCHEMBL19577104 0.88 LIPG (0.58) LIPGLIPCALOX5TSHRHTT
SCHEMBL29785646 0.88 LIPG (0.58) LIPGLIPCALOX5NAAATSHR
SCHEMBL8892358 0.88 LIPG (0.58) LIPGLIPCALOX5TSHRHTT

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
US-20190287691-A1 SEPARATION OF METAL IONS BY LIQUID-LIQUID EXTRACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-09-19 US disclosed
EP-0840727-B1 3-HYDROXY-2(1H)-PYRIDINONE CHELATING AGENTS UNIV CALIFORNIA (US) 2004-05-06 EP disclosed
US-5624901-A CARBAMOYL SUBSTITUTED COMPOUNDS FOR CHELATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-04-29 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-20190287691-A1 SEPARATION OF METAL IONS BY LIQUID-LIQUID EXTRACTION SLC39A14, SLC39A11, SLC39A7 LIPG 832/4885LIPC 1916/4885ALOX5 4199/4885

“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.