SCHEMBL3840437

SCHEMBL3840437

C=Cc1ccccc1OCC(C)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.41
ADRB1 P08588 6/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 4/20 0.41
HTR1A P08908 2/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
SLC22A1 O15245 1/20 0.41
HTR2A P28223 1/20 0.41
TSHR P16473 2/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
BDKRB2 P30411 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
NFKB1 P19838 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL5033203 0.86 ADRB2 (0.43) ADRB2ADRB1LMNACYP1A2HTR1A
SCHEMBL6286893 0.83 ADRB2 (0.41) ADRB2ADRB1LMNACYP1A2HTR1A
SCHEMBL6284579 0.81 IGF1R (0.53) ADRB2ADRB1LMNACYP1A2HTR1A
SCHEMBL6283927 0.79 IGF1R (0.39) ADRB2ADRB1LMNACYP1A2HTR1A
SCHEMBL6288924 0.79 IGF1R (0.42) ADRB2ADRB1LMNACYP1A2HTR1A
SCHEMBL6289176 0.77 HTT (0.51) TSHRALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL19971519 0.77 ALDH1A1 (0.38) ADRB2ADRB1LMNACYP1A2HTR1A
SCHEMBL6288923 0.76 HTT (0.43) ADRB2ADRB1LMNACYP1A2HTR1A
SCHEMBL27507471 0.76 CYP1A2 (0.60) ADRB2ADRB1LMNACYP1A2HTR1A
SCHEMBL16933892 0.76 ALDH1A1 (0.45) ADRB2ADRB1LMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548020-B1 SILICON COMPOUND JNC CORP (JP) 2014-07-23 EP disclosed
EP-1550664-B1 SILICON COMPOUND JNC CORP (JP) 2012-06-27 EP disclosed
EP-1650214-B1 Silicon compound CHISSO CORP (JP) 2009-11-04 EP disclosed
US-7399819-B2 Silicon compound CHISSO CORPORATION (JP) 2008-07-15 US disclosed
US-7294732-B2 Cyclic polysilsequisiloxanes substituted with a group containing a sulfonyl halide, especially ahalosulfonylphenyl group; living radical polymerization initiators, particularly for preparing acrylic polymers CHISSO CORPORATION (JP) 2007-11-13 US disclosed
US-7256243-B2 Silicon compound CHISSO CORPORATION (JP) 2007-08-14 US disclosed
US-20060094849-A1 Silicon compound JNC CORPORATION (JP) 2006-05-04 US disclosed
EP-1650214-A2 Silicon compound CHISSO CORPORATION (JP) 2006-04-26 EP disclosed
US-20050288468-A1 Cyclic polysilsequisiloxanes substituted with a group containing a sulfonyl halide, especially ahalosulfonylphenyl group; living radical polymerization initiators, particularly for preparing acrylic polymers JNC CORPORATION (JP) 2005-12-29 US disclosed
US-20050250925-A1 Silicon compound JNC CORPORATION (JP) 2005-11-10 US disclosed
EP-1550664-A1 SILICON COMPOUND CHISSO CORPORATION (JP) 2005-07-06 EP disclosed
EP-1548020-A1 SILICON COMPOUND CHISSO CORPORATION (JP) 2005-06-29 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-20050288468-A1 Cyclic polysilsequisiloxanes substituted with a group containing a sulfonyl halide, especially ahalosulfonylphenyl group; living radical polymerization initiators, particularly for preparing acrylic polymers STS, SULT1A1, SRM ADRB2 3409/4885ADRB1 2468/4885LMNA 1848/4885

“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.