SCHEMBL711066

SCHEMBL711066

CC1(COS(C)(=O)=O)COCOC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 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
SCHEMBL16766 0.92 EPHX1 (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14891993 0.80 KDM4E (0.33) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14924188 0.76 USP2 (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18256712 0.76 AOC2 (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3463025 0.73 EPHX1 (0.38) EPHX1
SCHEMBL19286017 0.73 EPHX1 (0.40) EPHX1
SCHEMBL7814512 0.73 KMT2A (0.39) ALDH1A1
SCHEMBL23142449 0.72 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15353749 0.72 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3462689 0.72 KDM4E (0.43) KDM4EUSP2ALDH1A1LMNAMMP9

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-8124613-B2 Spirotropane compounds VIROCHEM PHARMA INC. (CA) 2012-02-28 US disclosed
US-20110105546-A1 SPIROTROPANE COMPOUNDS VIROCHEM PHARMA INC. (CA) 2011-05-05 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 (1 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-20110105546-A1 SPIROTROPANE COMPOUNDS CCR5, CXCR1, CXCR2 KDM4E 4880/4885USP2 4658/4885ALDH1A1 622/4885

“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.