SCHEMBL19007796

SCHEMBL19007796

COC(=O)CCC(=O)OCCOC(=O)C(F)(F)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CA12 O43570 4/20 0.37
CA14 Q9ULX7 4/20 0.37
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
BLM P54132 1/20 0.34
LMNA P02545 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
DGKA P23743 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA2 P00918 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL14228089 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1CA2
SCHEMBL16020887 0.82 THRB (0.41) TSHRADRA2AADRA1AALDH1A1L3MBTL1
SCHEMBL5367729 0.81 ALDH1A1 (0.40) TSHRCA12ALDH1A1L3MBTL1CA9
SCHEMBL4111937 0.80 DGKA (0.62) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL14852654 0.80 DGKA (0.62) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL10134611 0.80 ALDH1A1 (0.39) TSHRCA12CA14ALDH1A1L3MBTL1
SCHEMBL26488836 0.78 ALDH1A1 (0.41) TSHRALDH1A1L3MBTL1LMNACA2
SCHEMBL26488837 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1CA2
SCHEMBL12135626 0.77 ALDH1A1 (0.34) TSHRALDH1A1L3MBTL1
SCHEMBL5372627 0.77 ALDH1A1 (0.36) TSHRCA12ALDH1A1L3MBTL1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170176855-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, ACID GENERATOR AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-22 US disclosed
US-20170176855-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, ACID GENERATOR AND COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2017-06-22 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-20170176855-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, ACID GENERATOR AND COMPOUND RB1, FXR1, GAR1 TSHR 3631/4885CA12 1807/4885CA14 2730/4885

“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.