SCHEMBL3136122

SCHEMBL3136122

CCCCOc1ccccc1[Mg]Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 2/20 0.55
KMT2A Q03164 2/20 0.43
LTA4H P09960 2/20 0.43
CYP19A1 P11511 1/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MCHR1 Q99705 1/20 0.41
TLR8 Q9NR97 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40

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
SCHEMBL10362099 0.93 LMNA (0.50) CYP1A2CYP2C19CYP2C9KMT2ALTA4H
SCHEMBL4590099 0.82 ALDH1A1 (0.50) CYP1A2CYP2C19KMT2AMAPTMEN1
SCHEMBL3135214 0.81 CYP1A2 (0.55) CYP1A2CYP2C19CYP2C9KMT2ALTA4H
1,2-Dibutoxybenzene SCHEMBL29428927 0.80 CYP1A2 (0.72) CYP1A2CYP2C19CYP2C9KMT2ALTA4H
1,2-Dibutoxybenzene SCHEMBL1226749 0.80 CYP1A2 (0.72) CYP1A2CYP2C19CYP2C9KMT2ALTA4H
Hydrochloric Acid SCHEMBL27778405 0.79 CYP1A2 (0.51) CYP1A2CYP2C19CYP2C9KMT2ALTA4H
Bromide SCHEMBL27778412 0.79 CYP1A2 (0.51) CYP1A2CYP2C19CYP2C9KMT2ALTA4H
1,2-Dibutoxybenzene SCHEMBL6236324 0.78 CYP1A2 (0.69) CYP1A2CYP2C19CYP2C9KMT2ALTA4H
SCHEMBL7848646 0.76 CYP1A2 (0.49) CYP1A2CYP2C19CYP2C9KMT2ALTA4H
1-Propoxy-2-Butoxybenzene SCHEMBL2846696 0.76 CYP1A2 (0.67) CYP1A2CYP2C19CYP2C9KMT2ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
US-20070083060-A1 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2007-04-12 US disclosed
EP-1676835-A1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2006-07-05 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-20070083060-A1 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid ARSA, HAO2, HAO1 CYP1A2 378/4885CYP2C19 875/4885CYP2C9 219/4885

“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.