SCHEMBL5529258

SCHEMBL5529258

O=C(CCl)CC(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 5/20 0.51
EPHX2 P34913 8/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5526435 0.85 SCN9A (0.40) MEN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL950305 0.80 MEN1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL23143128 0.80 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL27436851 0.78 ALDH1A1 (0.61) MEN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL27436795 0.77 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL3213948 0.75 ALDH1A1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL1133345 0.75 ALDH1A1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL14929440 0.75 ALDH1A1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL4926123 0.75 ALDH1A1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL11991798 0.75 ALDH1A1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1EPHX2

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
US-8173353-B2 Sulfonium compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-8173353-B2 Sulfonium compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20100248135-A1 SULFONIUM COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100248135-A1 SULFONIUM COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 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-20100248135-A1 SULFONIUM COMPOUND PFAS, F12, AFF1 MEN1 3801/4885KMT2A 923/4885L3MBTL1 3577/4885

“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.