SCHEMBL19974880

SCHEMBL19974880

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
EPHX1 P07099 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
LIPE Q05469 1/20 0.33
EPHX2 P34913 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL19974893 0.94 BRD4 (0.33) KDM4ESMN1; SMN2EPHX1EPHX2BRD4
SCHEMBL21183548 0.91 EPHX2 (0.39) ALDH1A1GAAKDM4ESMN1; SMN2SIGMAR1
SCHEMBL19975075 0.90 USP2 (0.38) ALDH1A1GAAKDM4ESMN1; SMN2SIGMAR1
SCHEMBL19975241 0.88 EPHX1 (0.40) ALDH1A1GAACYP2D6SMN1; SMN2EPHX1
SCHEMBL19975106 0.88 EPHX1 (0.40) ALDH1A1GAACYP2D6SMN1; SMN2EPHX1
SCHEMBL21176260 0.87 KDM4E (0.34) ALDH1A1GAAKDM4ECYP2D6SIGMAR1
SCHEMBL19974790 0.87 SIGMAR1 (0.40) ALDH1A1KDM4ESMN1; SMN2SIGMAR1EPHX1
SCHEMBL21176384 0.86 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2EPHX1KMT2A
SCHEMBL19974993 0.83 ALOX15 (0.44) ALDH1A1GAACYP2D6SMN1; SMN2SIGMAR1
SCHEMBL19974996 0.83 CTSD (0.38) ALDH1A1GAACYP2D6SMN1; SMN2EPHX1

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 4 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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (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 ALDH1A1 2271/4885GAA 75/4885KDM4E 3330/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885GAA 75/4885KDM4E 3330/4885

“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.