SCHEMBL19975044

SCHEMBL19975044

COC(=O)CCCC1OC1C(=O)NCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
EPHX2 P34913 7/20 0.37
EPHX1 P07099 3/20 0.37
TDP1 Q9NUW8 2/20 0.34
GLA P06280 1/20 0.33
HTR4 Q13639 3/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2B P18089 1/20 0.32
HRH2 P25021 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
HTR3A P46098 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL19974928 0.92 TDP1 (0.36) TSHREPHX2EPHX1TDP1
SCHEMBL19975523 0.81 TDP1 (0.37) EPHX1TDP1HTR4
SCHEMBL19975040 0.80 TDP1 (0.36) TSHREPHX2EPHX1TDP1HTR4
SCHEMBL19974896 0.79 TDP1 (0.40) EPHX1TDP1
SCHEMBL19974687 0.76 TDP1 (0.42) EPHX1TDP1
SCHEMBL4942582 0.73 TSHR (0.58) TSHREPHX2TDP1GLA
SCHEMBL21176165 0.72 EPHX1 (0.51) EPHX1
SCHEMBL19982736 0.72 ALDH1A1 (0.45) EPHX1TDP1
SCHEMBL19982735 0.72 ALDH1A1 (0.39) EPHX1TDP1
SCHEMBL19974767 0.72 TDP1 (0.39) EPHX2EPHX1TDP1

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 7 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
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 TSHR 4378/4885EPHX2 1455/4885EPHX1 372/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TSHR 4240/4885EPHX2 1317/4885EPHX1 449/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TSHR 4378/4885EPHX2 1455/4885EPHX1 372/4885

“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.