SCHEMBL953661

SCHEMBL953661

O=C([O-])C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(C(F)(F)F)C(F)(F)S(=O)(=O)O.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 2/20 0.35
CYP17A1 P05093 4/20 0.34
CYP19A1 P11511 4/20 0.34
GABBR2 O75899 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
HSD11B1 P28845 1/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPP3 O14638 1/20 0.31
CA2 P00918 1/20 0.31
ENPP1 P22413 1/20 0.31
ENPP2 Q13822 1/20 0.31

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
SCHEMBL956925 0.94 ALDH1A1 (0.31) KDM4EALDH1A1GAACYP17A1CYP19A1
SCHEMBL957911 0.93 MEN1 (0.36) KDM4EALDH1A1GAACYP17A1CYP19A1
SCHEMBL501575 0.79 KDM4E (0.38) KDM4EALDH1A1GAACYP17A1CYP19A1
SCHEMBL953659 0.77 ALDH1A1 (0.45) KDM4EALDH1A1GAACYP17A1CYP19A1
SCHEMBL957487 0.76 CYP17A1 (0.34) KDM4EALDH1A1GAACYP17A1CYP19A1
SCHEMBL956923 0.75 ALDH1A1 (0.39) KDM4EALDH1A1GAACYP17A1CYP19A1
SCHEMBL546659 0.73 MEN1 (0.37) KDM4EALDH1A1GAACYP17A1CYP19A1
SCHEMBL957910 0.72 ALDH1A1 (0.40) KDM4EALDH1A1GAACYP17A1CYP19A1
SCHEMBL1462092 0.71 CYP17A1 (0.40) KDM4EALDH1A1GAACYP17A1CYP19A1
SCHEMBL1830510 0.71 GAA (0.34) KDM4EALDH1A1GAACYP17A1CYP19A1

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-8609889-B2 Photoacid generator, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-12-17 US disclosed
US-20110003247-A1 PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-01-06 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-20110003247-A1 PHOTOACID GENERATOR, RESIST COMPOSITION, AND PATTERNING PROCESS GRHPR, GLRA3, GLRA1 KDM4E 3542/4885ALDH1A1 2589/4885GAA 903/4885

“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.