SCHEMBL19974721

SCHEMBL19974721

CC(OC1CCCCC1)C(O)C(=O)NCC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
EPHX1 P07099 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP2D6 P10635 1/20 0.40
METAP2 P50579 1/20 0.39

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
SCHEMBL19975535 0.99 SMN1; SMN2 (0.43) SMN1; SMN2TDP1EPHX1ALDH1A1TSHR
SCHEMBL19975124 0.97 SMN1; SMN2 (0.41) SMN1; SMN2TDP1EPHX1ALDH1A1TSHR
SCHEMBL19982747 0.85 EPHX1 (0.45) SMN1; SMN2TDP1EPHX1ALDH1A1TSHR
SCHEMBL19975399 0.84 EPHX1 (0.46) EPHX1ALDH1A1MMP1MMP2MMP9
SCHEMBL16281010 0.83 TDP1 (0.51) SMN1; SMN2TDP1EPHX1ALDH1A1TSHR
SCHEMBL19975298 0.81 EPHX1 (0.43) SMN1; SMN2TDP1EPHX1ALDH1A1TSHR
SCHEMBL19974911 0.80 METAP2 (0.37) EPHX1TSHRCA12CA1CA2
SCHEMBL19974929 0.78 METAP2 (0.48) SMN1; SMN2TDP1EPHX1ALDH1A1TSHR
SCHEMBL19974914 0.77 EPHX1 (0.46) SMN1; SMN2TDP1EPHX1ALDH1A1TSHR
SCHEMBL19974786 0.77 EPHX1 (0.46) SMN1; SMN2TDP1EPHX1ALDH1A1TSHR

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 SMN1; SMN2 706/4885TDP1 1016/4885EPHX1 372/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SMN1; SMN2 1086/4885TDP1 911/4885EPHX1 449/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SMN1; SMN2 706/4885TDP1 1016/4885EPHX1 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.