SCHEMBL19974795

SCHEMBL19974795

CC(C)CNC(=O)C(=O)C(C)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.47
MMP1 P03956 2/20 0.46
MMP8 P22894 2/20 0.46
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.38
CTSD P07339 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 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
SCHEMBL19974774 0.83 EPHX1 (0.40) EPHX1MMP1MMP8CYP2D6RAB9A
SCHEMBL21176387 0.83 EPHX1 (0.44) EPHX1MMP1MMP8CYP2D6RAB9A
SCHEMBL19974974 0.82 EPHX1 (0.42) EPHX1MMP1MMP8CYP2D6RAB9A
SCHEMBL19975080 0.80 EPHX1 (0.36) EPHX1HTTCYP2C19RAB9ASMN1; SMN2
SCHEMBL19975399 0.74 EPHX1 (0.46) EPHX1MMP1MMP8KDM4EPOLB
SCHEMBL2781270 0.74 SMN1; SMN2 (0.41) EPHX1CYP2D6RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2175723 0.72 SMN1; SMN2 (0.39) EPHX1CYP2D6GAARAB9ASMN1; SMN2
SCHEMBL3820571 0.71 TSHR (0.42) EPHX1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14123397 0.70 EPHX1 (0.37) EPHX1HTTCYP2C19SMN1; SMN2LMNA
SCHEMBL16281010 0.70 TDP1 (0.51) EPHX1MMP1MMP8CYP2D6GAA

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 8 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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN 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
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 (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 372/4885MMP1 3062/4885MMP8 1670/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C EPHX1 449/4885MMP1 3363/4885MMP8 1832/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C EPHX1 372/4885MMP1 3062/4885MMP8 1670/4885

“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.