SCHEMBL953659

SCHEMBL953659

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
GAA P10253 2/20 0.45
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
CYP17A1 P05093 2/20 0.35
CYP19A1 P11511 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL957910 0.93 ALDH1A1 (0.40) ALDH1A1GAARECQLSMN1; SMN2KMT2A
SCHEMBL956923 0.93 ALDH1A1 (0.39) ALDH1A1GAARECQLSMN1; SMN2KMT2A
SCHEMBL12088134 0.88 ALDH1A1 (0.43) ALDH1A1GAARECQLSMN1; SMN2KMT2A
SCHEMBL501575 0.81 KDM4E (0.38) ALDH1A1GAARECQLSMN1; SMN2KMT2A
SCHEMBL12912845 0.81 ALDH1A1 (0.36) ALDH1A1GAARECQLSMN1; SMN2KMT2A
SCHEMBL12912768 0.78 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2NPSR1POLB
SCHEMBL12912791 0.77 PRKCA (0.40) ALDH1A1GAAKMT2ANPSR1MAPT
SCHEMBL953661 0.77 KDM4E (0.35) ALDH1A1GAARECQLSMN1; SMN2KMT2A
SCHEMBL26059432 0.76 ALDH1A1 (0.42) ALDH1A1GAARECQLKMT2ANPSR1
SCHEMBL3454419 0.75 GAA (0.43) ALDH1A1GAARECQLSMN1; SMN2KMT2A

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 ALDH1A1 2589/4885GAA 903/4885RECQL 3016/4885

“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.