SCHEMBL21176375

SCHEMBL21176375

CC(NCC1CCN(C(=O)OC(C)(C)C)CC1)C(O)C(=O)NCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
EPHX1 P07099 1/20 0.46
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM1A O60341 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
TGFBR1 P36897 2/20 0.38
GLS O94925 1/20 0.38

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
SCHEMBL21176252 0.94 KDM4E (0.53) KDM4EPKMEPHX1HPGDKMT2A
SCHEMBL21176301 0.87 KDM4E (0.48) KDM4EPKMEPHX1HPGDKMT2A
SCHEMBL4016421 0.85 KDM4E (0.57) KDM4EPKMEPHX1HPGDKMT2A
SCHEMBL4016424 0.85 KDM4E (0.57) KDM4EPKMEPHX1HPGDKMT2A
SCHEMBL19974725 0.84 MEN1 (0.41) KDM4EEPHX1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL19982734 0.84 KDM4E (0.45) KDM4EPKMEPHX1HPGDKMT2A
SCHEMBL19652088 0.81 KDM4E (0.60) KDM4EPKMEPHX1HPGDKMT2A
SCHEMBL21176200 0.81 KDM4E (0.45) KDM4EPKMEPHX1HPGDKMT2A
SCHEMBL13059914 0.81 KDM4E (0.56) KDM4EPKMEPHX1HPGDSMN1; SMN2
SCHEMBL19975350 0.81 EPHX1 (0.45) EPHX1KMT2ASMN1; SMN2NPC1ALDH1A1

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
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-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
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.