SCHEMBL1025533

SCHEMBL1025533

O=C(O)NCCCCCI

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
PRMT1 Q99873 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADRA1A P35348 1/20 0.40
EPHX1 P07099 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH1A3 P47895 1/20 0.39
PAOX Q6QHF9 2/20 0.37
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CASP2 P42575 1/20 0.35

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
SCHEMBL5533897 1.00 KDM4E (0.44) KDM4EMAPK1HIF1APRMT1ALDH1A1
SCHEMBL7533949 1.00 KDM4E (0.44) KDM4EMAPK1HIF1APRMT1ALDH1A1
SCHEMBL21634363 1.00 KDM4E (0.44) KDM4EMAPK1HIF1APRMT1ALDH1A1
SCHEMBL3843952 0.97
SCHEMBL3879064 0.90
SCHEMBL2029681 0.87 KDM4E (0.55) KDM4EMAPK1HIF1APRMT1ALDH1A1
SCHEMBL15871737 0.87 KDM4E (0.55) KDM4EMAPK1HIF1APRMT1ALDH1A1
SCHEMBL20836564 0.87 KDM4E (0.55) KDM4EMAPK1HIF1APRMT1ALDH1A1
SCHEMBL5569558 0.87 KDM4E (0.55) KDM4EMAPK1HIF1APRMT1ALDH1A1
SCHEMBL28569684 0.87 KDM4E (0.55) KDM4EMAPK1HIF1APRMT1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121483-A1 IMMUNOSTIMULATORY COMPOSITIONS VICTORIA LINK LIMITED (NZ) 2023-06-29 WO disclosed
US-9266853-B2 Orally available viridiofungin derivative possessing anti-HCV activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
US-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-07-30 US disclosed
EP-2886530-A1 ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 2015-06-24 EP disclosed
WO-2011005609-A2 IMAGING GASTROINTESTINAL VOLUMES AND MOTILITY MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2011-01-13 WO 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-20150210666-A1 ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY ZC3HAV1, SLC10A1, CYP51A1 KDM4E 4176/4885MAPK1 1179/4885HIF1A 3344/4885

“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.