SCHEMBL21176260

SCHEMBL21176260

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
EPHX1 P07099 3/20 0.32
HTT P42858 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
EPHX2 P34913 3/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19975179 0.90 KDM4E (0.35) KDM4EPOLBCYP2D6ALDH1A1GAA
SCHEMBL19974880 0.87 ALDH1A1 (0.35) KDM4EPOLBSIGMAR1CYP2D6ALDH1A1
SCHEMBL21183545 0.86 KDM4E (0.45) KDM4EPOLBEPHX1MEN1KMT2A
SCHEMBL19974937 0.82 ALDH1A1 (0.34) KDM4EPOLBCYP2D6ALDH1A1GAA
SCHEMBL19974893 0.81 BRD4 (0.33) KDM4EEPHX1EPHX2BRD4
SCHEMBL21183561 0.79 NAMPT (0.39) KDM4EPOLBALDH1A1EPHX1MEN1
SCHEMBL19975112 0.79 MEN1 (0.36) KDM4EPOLBCYP2D6ALDH1A1GAA
SCHEMBL21183548 0.78 EPHX2 (0.39) KDM4ESIGMAR1ALDH1A1GAAEPHX1
SCHEMBL19975075 0.77 USP2 (0.38) KDM4ESIGMAR1ALDH1A1GAAEPHX1
SCHEMBL19974979 0.75 ADH1A (0.42) KDM4EPOLBCYP2D6EPHX1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 3330/4885POLB 833/4885SIGMAR1 1966/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KDM4E 3330/4885POLB 833/4885SIGMAR1 1966/4885

“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.