SCHEMBL5526435

SCHEMBL5526435

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.37
EPHX2 P34913 6/20 0.36

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
SCHEMBL12605165 0.88 ALDH1A1 (0.40) SCN9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5529258 0.85 MEN1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL12017107 0.80 ALDH1A1 (0.47) SCN9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11991799 0.80 ALDH1A1 (0.40) SCN9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5607929 0.79 ALDH1A1 (0.44) SCN9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL12378603 0.79 ALDH1A1 (0.42) SCN9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL22590271 0.78 ALDH1A1 (0.41) SCN9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5521880 0.78 SCN9A (0.36) SCN9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5608620 0.77 ALDH1A1 (0.45) SCN9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL17041863 0.76 MAPT (0.41) SCN9AMEN1KMT2AL3MBTL1ALDH1A1

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 SCN9A 820/4885MEN1 3801/4885KMT2A 923/4885

“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.