SCHEMBL20730632

SCHEMBL20730632

CC(C)OCP(=O)(O)CC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
METAP1 P53582 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
MMP2 P08253 3/20 0.34
CA9 Q16790 3/20 0.34
MMP1 P03956 2/20 0.33
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL17039332 0.81 CA12 (0.36) CYP1A2CYP3A4METAP1CA12CA1
SCHEMBL17039330 0.77 CA12 (0.32) CYP1A2CYP3A4METAP1CA12CA1
SCHEMBL19229693 0.75 METAP1 (0.35) CYP1A2CYP3A4METAP1CA12CA1
SCHEMBL21276551 0.74
SCHEMBL17036737 0.73 MMP1 (0.36) MMP2MMP1
SCHEMBL19229690 0.71 METAP1 (0.32) METAP1
SCHEMBL20730704 0.69 METAP1 (0.30) METAP1
SCHEMBL5509358 0.68 CA12 (0.39) CYP1A2CYP3A4METAP1CA12CA1
SCHEMBL17342201 0.68 CA2 (0.45) CYP1A2METAP1CA12CA1CA2
SCHEMBL5670794 0.67 CA12 (0.41) METAP1CA12CA1CA2MMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550140-B2 Ether compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-02-14 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 (2 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-10550140-B2 Ether compounds for treatment of complement mediated disorders TFPI, CFD, C9 CYP1A2 2820/4885CYP3A4 2611/4885METAP1 2446/4885
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 CYP1A2 2820/4885CYP3A4 2611/4885METAP1 2446/4885

“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.