SCHEMBL21176376

SCHEMBL21176376

O=C(NCC1CCCCC1)C(=O)C1CCC(=O)N1CC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX1 P07099 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
LIPE Q05469 1/20 0.34
CYP2C19 P33261 1/20 0.34
CTSD P07339 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL21176253 0.92 EPHX1 (0.39) ALDH1A1EPHX1HRH3HTTKMT2A
SCHEMBL21176369 0.90 EPHX1 (0.36) ALDH1A1TDP1EPHX1HRH3HTT
SCHEMBL21176199 0.90 EPHX1 (0.36) ALDH1A1TDP1EPHX1HRH3HTT
SCHEMBL19975249 0.89 CYP2C19 (0.37) POLBALDH1A1TDP1EPHX1MEN1
SCHEMBL19974787 0.79 FEN1 (0.37) ALDH1A1TDP1KMT2ACYP2C19
SCHEMBL21176222 0.78 ALDH1A1 (0.48) POLBALDH1A1TDP1HTTKMT2A
SCHEMBL19974822 0.76 HPGD (0.37) POLBALDH1A1EPHX1KMT2ANPC1
SCHEMBL19975108 0.76 FEN1 (0.41) POLBALDH1A1MEN1KMT2ACYP2C19
SCHEMBL19975087 0.74 PTGER4 (0.35) MEN1KMT2AMMP1MMP3MMP9
SCHEMBL21183569 0.74 SMN1; SMN2 (0.40) POLBALDH1A1EPHX1KMT2ANPC1

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 POLB 833/4885ALDH1A1 2271/4885TDP1 1016/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C POLB 617/4885ALDH1A1 2673/4885TDP1 911/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C POLB 833/4885ALDH1A1 2271/4885TDP1 1016/4885

“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.