SCHEMBL21176199

SCHEMBL21176199

O=C(NCC1CCCC1)C(=O)C1CCC(=O)N1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL21176369 1.00 EPHX1 (0.36) EPHX1HRH3CA12CA1CA2
SCHEMBL21176253 0.99 EPHX1 (0.39) EPHX1HRH3CA12CA1CA2
SCHEMBL21176376 0.90 POLB (0.36) EPHX1HRH3CA12CA1CA2
SCHEMBL19974822 0.82 HPGD (0.37) EPHX1RAB9ANPC1ALDH1A1MAPT
SCHEMBL21183569 0.82 SMN1; SMN2 (0.40) EPHX1RAB9ANPC1ALDH1A1LMNA
SCHEMBL19975087 0.80 PTGER4 (0.35) MMP1MMP3MMP9RAB9ANPC1
SCHEMBL19975249 0.78 CYP2C19 (0.37) EPHX1ALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL21176237 0.77 P2RX7 (0.52) ALDH1A1CYP2D6P2RX7TDP1KMT2A
SCHEMBL19975410 0.77 P2RX7 (0.52) ALDH1A1CYP2D6P2RX7TDP1KMT2A
SCHEMBL21176371 0.77 P2RX7 (0.52) ALDH1A1CYP2D6P2RX7TDP1KMT2A

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 EPHX1 372/4885HRH3 1544/4885CA12 3472/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C EPHX1 449/4885HRH3 2142/4885CA12 3451/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C EPHX1 372/4885HRH3 1544/4885CA12 3472/4885

“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.