SCHEMBL5197831

SCHEMBL5197831

CC(C)(C)C(=O)CC(I)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
EPHX1 P07099 6/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SHBG P04278 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP2 P08253 2/20 0.32
CA9 Q16790 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
TP53 P04637 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL5196170 0.78 ALDH1A1 (0.37) ALDH1A1EPHX1LMNASMN1; SMN2SHBG
SCHEMBL5195787 0.78 ALDH1A1 (0.37) ALDH1A1EPHX1LMNASMN1; SMN2SHBG
SCHEMBL6726381 0.78 EPHX1 (0.38) ALDH1A1EPHX1LMNASMN1; SMN2SHBG
SCHEMBL5194211 0.78 ALDH1A1 (0.37) ALDH1A1EPHX1LMNASMN1; SMN2SHBG
SCHEMBL14223783 0.74 ALDH1A1 (0.34) ALDH1A1EPHX1LMNASMN1; SMN2SHBG
SCHEMBL14035573 0.73 CTSK (0.36) ALDH1A1
SCHEMBL15490761 0.68 ALOX5 (0.32)
SCHEMBL634334 0.66 SHBG (0.56) EPHX1LMNASMN1; SMN2SHBGTP53
SCHEMBL5196201 0.66 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12868350 0.66 EPHX1 (0.52) ALDH1A1EPHX1SMN1; SMN2SHBGCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 EP disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 EP 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-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES ALDH1A1 349/4885EPHX1 47/4885LMNA 1688/4885

“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.