SCHEMBL12376794

SCHEMBL12376794

O=C(OCC(F)(F)S(=O)(=O)O)c1ccc2c(c1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TRPV1 Q8NER1 1/20 0.43
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
RXRB P28702 3/20 0.40
RXRA P19793 2/20 0.40
RXRG P48443 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
PPARD Q03181 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL12409479 0.97 ALDH1A1 (0.42) ALDH1A1TRPV1NPC1RAB9ARXRB
SCHEMBL12376796 0.80 ALDH1A1 (0.45) ALDH1A1TRPV1NPC1RAB9ARXRB
SCHEMBL18785873 0.78 CES2 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12376782 0.77 ALDH1A1 (0.49) ALDH1A1TRPV1NPC1RAB9ARXRB
SCHEMBL18785861 0.76 CES2 (0.38) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL12473951 0.76 MAPK1 (0.46) ALDH1A1RXRBRXRARXRGMAPT
SCHEMBL18785337 0.76 ESR1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18786045 0.76 ADRB2 (0.44) ALDH1A1TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL12016470 0.76 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23595630 0.75 NPC1 (0.41) ALDH1A1TRPV1NPC1RAB9ASMN1; SMN2

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-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 ALDH1A1 4540/4885TRPV1 1521/4885NPC1 4449/4885

“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.