SCHEMBL503160

SCHEMBL503160

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CCC(F)C(F)(F)S(=O)(=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIA4 P48058 4/20 0.35
ACHE P22303 1/20 0.34
POLB P06746 1/20 0.33
EEF2K O00418 1/20 0.33
HSD11B1 P28845 5/20 0.33
MAPT P10636 1/20 0.32
RORA P35398 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 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
SCHEMBL7705618 0.83 ALDH1A1 (0.38) ALDH1A1TP53SMN1; SMN2ACHEEEF2K
Trifluoromethanesulfonic Acid SCHEMBL36627 0.80 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2ACHEHSD11B1
SCHEMBL4483664 0.78 ALDH1A1 (0.47) ALDH1A1TP53SMN1; SMN2ACHEPOLB
SCHEMBL7708628 0.78 HSD11B1 (0.38) ALDH1A1TP53SMN1; SMN2ACHEEEF2K
SCHEMBL5169076 0.77 ALDH1A1 (0.38) ALDH1A1TP53SMN1; SMN2ACHEEEF2K
Sulfuric Acid SCHEMBL5068665 0.77 ALDH1A1 (0.52) ALDH1A1TP53SMN1; SMN2ACHEHSD11B1
SCHEMBL1134052 0.76 KCNH2 (0.33) ALDH1A1TP53SMN1; SMN2GRIA4HSD11B1
SCHEMBL3174077 0.76 ALDH1A1 (0.42) ALDH1A1TP53SMN1; SMN2ACHEHSD11B1
SCHEMBL2438900 0.76 ALDH1A1 (0.42) ALDH1A1TP53SMN1; SMN2ACHEHSD11B1
SCHEMBL565630 0.75 ALDH1A1 (0.39) ALDH1A1TP53SMN1; SMN2ACHEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-8435718-B2 Upper layer-forming composition and photoresist patterning method JSR CORPORATION (JP) 2013-05-07 US disclosed
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND JSR CORPORATION (JP) 2012-06-28 US disclosed
EP-1950610-B1 IMMERSION LITHOGRAPHIC COMPOSITION FOR FORMING UPPER FILM AND METHOD FOR FORMING PHOTORESIST PATTERN JSR CORP (JP) 2012-05-02 EP disclosed
US-20120028198-A1 UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD JSR CORPORATION (JP) 2012-02-02 US disclosed
US-20110143279-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2011-06-16 US disclosed
US-20100003615-A1 UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD JSR CORPORATION (JP) 2010-01-07 US disclosed
EP-1950610-A1 COMPOSITION FOR FORMING UPPER FILM AND METHOD FOR FORMING PHOTORESIST PATTERN JSR Corporation (JP) 2008-07-30 EP 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-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND RAD51, RER1, ATP6AP1 ALDH1A1 1300/4885TP53 2642/4885SMN1; SMN2 3497/4885

“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.