SCHEMBL20691783

SCHEMBL20691783

CCC(I)C(=O)Oc1cccc2ccoc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.35
▸ ADORA2A P29274 5/20 0.34
▸ ADORA3 P0DMS8 4/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TMIGD3 P0DMS9 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
Trimethylammonium SCHEMBL27345077 0.78 ALOX15 (0.38) ADORA2AADORA3ADORA1KMT2AHSD17B10
SCHEMBL18897995 0.77 ADORA2A (0.34) EGLN1ADORA2AADORA3ADORA1KMT2A
SCHEMBL18671916 0.77 ALDH1A1 (0.53) KMT2AHSD17B10MEN1ALDH1A1HPGD
SCHEMBL15495778 0.76 ADORA2A (0.54) ADORA2AADORA3ADORA1KMT2AHSD17B10
SCHEMBL20691759 0.75 CA12 (0.38) KMT2ACNR2HSD17B10
SCHEMBL4714748 0.75 ADORA2A (0.41) EGLN1ADORA2AADORA3ADORA1KMT2A
SCHEMBL18671918 0.74 ALDH1A1 (0.39) KMT2AHSD17B10MEN1ALDH1A1LMNA
SCHEMBL15113849 0.74 RIPK1 (0.35) EGLN1ADORA2AADORA3ADORA1KMT2A
SCHEMBL3796715 0.73 ADORA3 (0.49) ADORA2AADORA3ADORA1KMT2AMEN1
SCHEMBL10710878 0.73 ALDH1A1 (0.58) ADORA2AADORA3ADORA1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190033716-A1 SULFONIUM SALT, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-01-31 — — 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-20190033716-A1 SULFONIUM SALT, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SMC4, SMCHD1, SMC3 EGLN1 3792/4885ADORA2A 4865/4885ADORA3 4787/4885

“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.

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