SCHEMBL21183545

SCHEMBL21183545

CCC(C(=O)C(=O)NCC1CCCCC1)N(C=O)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
GLS O94925 1/20 0.36
POLB P06746 1/20 0.36
KDM1A O60341 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
LIMK2 P53671 1/20 0.35
TGFBR1 P36897 4/20 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
SCHEMBL21183561 0.91 NAMPT (0.39) KDM4EPKMEPHX1HPGDGLS
SCHEMBL21176384 0.89 KDM4E (0.46) KDM4EPKMEPHX1HPGDFPR3
SCHEMBL21176260 0.86 KDM4E (0.34) KDM4EEPHX1POLBMEN1KMT2A
SCHEMBL21176171 0.84 KDM4E (0.44) KDM4EPKMEPHX1HPGDFPR3
SCHEMBL21176247 0.83 KDM4E (0.48) KDM4EPKMEPHX1HPGDFPR3
SCHEMBL21176200 0.81 KDM4E (0.45) KDM4EPKMEPHX1HPGDFPR3
SCHEMBL19975179 0.79 KDM4E (0.35) KDM4EEPHX1POLBKMT2A
SCHEMBL19982894 0.78 KDM4E (0.42) KDM4EPKMEPHX1HPGDFPR3
SCHEMBL21176196 0.76 KDM4E (0.47) KDM4EPKMEPHX1FPR3FPR2
SCHEMBL21176275 0.76 NAMPT (0.38) KDM4EPKMEPHX1FPR3FPR2

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-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C KDM4E 3330/4885PKM 2897/4885EPHX1 372/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KDM4E 3784/4885PKM 3299/4885EPHX1 449/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KDM4E 3330/4885PKM 2897/4885EPHX1 372/4885

“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.