SCHEMBL3454497

SCHEMBL3454497

O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.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 3/20 0.45
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP17A1 P05093 2/20 0.41
CYP19A1 P11511 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL3454541 0.93 ALDH1A1 (0.43) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL2887913 0.82 ALDH1A1 (0.40) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL13148562 0.81 RECQL (0.54) ALDH1A1GAARECQLSMN1; SMN2CYP17A1
SCHEMBL544306 0.81 ALDH1A1 (0.43) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL515758 0.79 ALDH1A1 (0.39) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL9894463 0.78 RECQL (0.44) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL13148547 0.78 CYP17A1 (0.61) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL31206130 0.77 ALDH1A1 (0.40) ALDH1A1GAARECQLKMT2ASMN1; SMN2
SCHEMBL2775740 0.77 ALDH1A1 (0.49) ALDH1A1GAARECQLSMN1; SMN2CYP17A1
SCHEMBL3790171 0.77 KDM4E (0.40) ALDH1A1GAARECQLKMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110885282-B Iodonium salt, resist composition and pattern forming method 信越化学工业株式会社 2023-04-18 CN disclosed
US-9897916-B2 Compound, polymer compound, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-20 US disclosed
US-20170038683-A1 COMPOUND, POLYMER COMPOUND, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-02-09 US disclosed
US-8394570-B2 Sulfonium salt, acid generator, resist composition, photomask blank, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-12 US disclosed
US-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-10 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 (2 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-20170038683-A1 COMPOUND, POLYMER COMPOUND, RESIST COMPOSITION, AND PATTERNING PROCESS WDR1, WDR26, LBR ALDH1A1 4414/4885GAA 4395/4885RECQL 3243/4885
US-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS TYK2, VRK2, ARSA ALDH1A1 3818/4885GAA 3795/4885RECQL 3837/4885

“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.