SCHEMBL3483620

SCHEMBL3483620

[CH2]CN(C(=O)OCC(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
ELANE P08246 1/20 0.42
GLA P06280 1/20 0.42
TACR3 P29371 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1H3 Q13133 1/20 0.41
HPGD P15428 1/20 0.40
P2RX4 Q99571 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 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
SCHEMBL3483018 0.85 GAA (0.45) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL9601026 0.84 ALDH1A1 (0.47) ALDH1A1TSHRELANEGLATACR3
SCHEMBL28207526 0.83 CHRM2 (0.52) ALDH1A1TSHRGLACHRNB2CHRNB4
SCHEMBL4910826 0.82 SMN1; SMN2 (0.54) ALDH1A1TSHRGLAMAPTSMN1; SMN2
SCHEMBL18190856 0.80 MAPT (0.43) ALDH1A1TSHRELANEGLATACR3
SCHEMBL4920806 0.79 LMNA (0.49) ALDH1A1TSHRGLACHRNB2CHRNB4
SCHEMBL5188456 0.78 ALDH1A1 (0.46) ALDH1A1TSHRELANEGLATACR3
SCHEMBL10377193 0.78 ALDH1A1 (0.49) ALDH1A1GLAMAPTSMN1; SMN2MAPK1
SCHEMBL4921591 0.77 TSHR (0.49) ALDH1A1TSHRGLACHRNB2CHRNB4
SCHEMBL3482812 0.76 ALDH1A1 (0.45) ALDH1A1TSHRELANECHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 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
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 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 (5 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ALDH1A1 1731/4885TSHR 1642/4885ELANE 883/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885TSHR 536/4885ELANE 1203/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885TSHR 536/4885ELANE 1203/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 ALDH1A1 1812/4885TSHR 2711/4885ELANE 3629/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885TSHR 536/4885ELANE 1203/4885

“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.