SCHEMBL3678445

SCHEMBL3678445

CC(C)(C)[Si](OCCN(Cc1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PMP22 Q01453 2/20 0.42
GLA P06280 1/20 0.42
BLM P54132 1/20 0.42
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 2/20 0.40
HTT P42858 1/20 0.40
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 3/20 0.40
CYP2D6 P10635 2/20 0.40
TAAR1 Q96RJ0 2/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
SLC6A3 Q01959 2/20 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
SCHEMBL30933452 0.78 MAOB (0.43)
SCHEMBL20954572 0.78 MAOB (0.43)
SCHEMBL21176761 0.77 ALDH1A1 (0.43) LMNASMN1; SMN2GLACYP3A4HTT
SCHEMBL25331014 0.77 TDP1 (0.37) LMNASMN1; SMN2CYP3A4HTTNR1H2
SCHEMBL8720378 0.76 PPARG (0.41) TSHRLMNASMN1; SMN2CYP2C19CYP3A4
SCHEMBL5777196 0.75 SMN1; SMN2 (0.44) TSHRSMN1; SMN2CYP3A4HTTKMT2A
SCHEMBL21176769 0.73 CYP3A4 (0.32) SMN1; SMN2CYP3A4HTT
SCHEMBL14121598 0.72 SCN1A (0.38) LMNASMN1; SMN2CYP3A4HTTCHRM2
SCHEMBL1314001 0.72 AGXT (0.42) TSHRLMNASMN1; SMN2CYP3A4HTT
SCHEMBL706843 0.72 SMYD2 (0.40) LMNASMN1; SMN2CYP3A4HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO 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 (3 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TSHR 536/4885LMNA 1846/4885SMN1; SMN2 4831/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TSHR 536/4885LMNA 1846/4885SMN1; SMN2 4831/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TSHR 536/4885LMNA 1846/4885SMN1; SMN2 4831/4885

“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.