SCHEMBL12376801

SCHEMBL12376801

C=CC(=O)OCCOC(=O)C(F)(F)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
ALDH1A1 P00352 5/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 2/20 0.46
THRB P10828 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL12039874 0.93 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2742242 0.92 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2881098 0.86 ALDH1A1 (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14228089 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1
SCHEMBL17439309 0.83 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL18499623 0.80 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13557336 0.80 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8149128 0.80 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL502010 0.78 ALDH1A1 (0.41) TSHRALDH1A1HSD17B10CYP3A4MAPK1
SCHEMBL18077350 0.77 ALDH1A1 (0.38) ALDH1A1THRBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9595362-B2 Conductive polymer composition comprising a sulfo group-containing dopant polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-14 US disclosed
US-9568824-B2 Actinic-ray- or radiation-sensitive resin composition, resist film therefrom and method of forming pattern therewith FUJIFILM CORPORATION (JP) 2017-02-14 US disclosed
US-20160064113-A1 CONDUCTIVE POLYMER COMPOSITE AND SUBSTRATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-03 US disclosed
US-8691490-B2 Sulfonium salt, polymer, method for producing the polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-08 US disclosed
US-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-08-04 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-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS RPS4Y1, ETV6, RPS4X TSHR 3175/4885ALDH1A1 4540/4885TP53 4029/4885

“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.